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Cholest-5-en-3-yl 4-methylbenzenesulfonate

HCID 280698
NotesReactions
Basic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

CAS
1182-65-6
Standard SMILES
Cc1ccc(S(=O)(=O)OC2CCC3(C)C(=CCC4C3CCC3(C)C(C(C)CCCC(C)C)CCC43)C2)cc1
InChIKey
RNZDACWUXZHQMI-UHFFFAOYSA-N
Molecular formula
C34H52O3S
Average molar mass
540.8 g/mol
Monoisotopic mass
540.36371652

Names & identifiers

Preferred name
Cholest-5-en-3-yl 4-methylbenzenesulfonate
IUPAC
[10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] 4-methylbenzenesulfonate
English name
Cholesteryl tosylate
Molecular formula
C34H52O3S
Molecular weight
540.84

Names & synonyms

Cholest-5-en-3-yl 4-methylbenzenesulfonateSCHEMBL29137369DTXSID90922626RNZDACWUXZHQMI-UHFFFAOYSA-NNSC132807NSC134905NSC-132807NSC-134905Cholest-5-en-3-yl 4-methylbenzene-1-sulfonateCholesterol tosylateCholesteryl tosylateChlolest-5-en-3-tosylate
Show more names
Cholest-5-en-3β-tosylateChlolest-5-en-3b-tosylateChlolest-5-en-3β-tosylate3β-(Tosyloxy)cholest-5-eneCholest-5-en-3β-ol tosylateCHOLESTERYL P-TOLUENESULFONATECHOLESTERYL P-TOLUENESULPHONATE

Database identifiers

CAS
1182-65-6
PubChem CID
280698
DTXSID
DTXSID90922626

Properties

Computed structural properties

XLogP
10.6
Topological polar surface area
51.8 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
8
Heavy atoms
38
Formal charge
0
Complexity
955

Physicochemical properties

Melting point
131 °C · 131 °C
Boiling point
617.5 · 617.5±34.0 °C(Predicted)
Density
1.09 · 1.09±0.1 g/cm3(Predicted)
storage temp.
-20 °C · -20°C
EPA Substance Registry System
-5 · Cholest-5-en-3-ol (3.beta.)-, 4-methylbenzenesulfonate (1182-65-6)
TSCA
TSCA listed

Safety & regulation

Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.

Safety data

tsca
TSCA listed

Chemistry & industry

Suppliers15 total

上海赛可锐生物科技有限公司021-58000709 13120558703 · [email protected]
上海维亦特生物科技有限公司15317051735 · [email protected]
上海梅凯科技有限公司021-68689288 15300790979 · [email protected]
烟台正信新材料科技有限公司13854547682 13854547682 · [email protected]
郑州格然林医药科技有限公司0371-85513397 · [email protected]
Qingdao Dexin Chemical Co., Ltd+86-15553333686 · [email protected]
杭州六可生物科技有限公司+86-571-86912261 19975279805 · [email protected]
陕西缔都医药化工有限公司029-029-81120477 17792793610 · [email protected]
浙江泽天精细化工有限公司18957127338 · [email protected]
青岛浩海安杰医药科技有限公司156-6622-8711 18639325623 · [email protected]
TargetMol中国(陶术生物)4008200310 15002144251 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354 · [email protected]
武汉泰易成生化药业有限公司027-88320699 ;15307126061 · [email protected]

Related reactions

7 records
New reaction record
HRID 830262 reaction equation
HRID 830262As reactantTest data from https://doi.org/10.1039/C8SC04228D
HRID 948455 reaction equation
HRID 948455As productValidation data from https://doi.org/10.1039/C8SC04228D
HRID 1073537 reaction equation
HRID 1073537As reactantuspto-grants-1990_11
HRID 1906497 reaction equation
HRID 1906497As reactantuspto-grants-1987_03
HRID 1906579 reaction equation
HRID 1906579As reactantuspto-grants-1987_03
HRID 2051525 reaction equation
HRID 2051525As reactantuspto-grants-1991_05
HRID 2165881 reaction equation
HRID 2165881As reactantuspto-grants-1990_07

Compound notes

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On this pageBasic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
浙江天酶生物工程有限公司19967302939 · [email protected]