6-[5-(2-Oxo-Hexahydro-Thieno[3,4-D]Imidazol-4-Yl)-Pentanoylamino]-Hexanoic Acid

HCID 446905CAS 72040-64-3
Substructure searchFind similar structures

Basic information

Standard SMILES
O=C(O)CCCCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21
InChIKey
CMUGHZFPFWNUQT-HUBLWGQQSA-N
Molecular formula
C16H27N3O4S
Average molar mass
357.5 g/mol
Monoisotopic mass
357.17222734

Names & identifiers

Preferred name
6-[5-(2-Oxo-Hexahydro-Thieno[3,4-D]Imidazol-4-Yl)-Pentanoylamino]-Hexanoic Acid
IUPAC
6-[5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]hexanoic acid
English name
(+)-BIOTIN-EPSILON-AMINOCAPROIC ACID
Molecular formula
C16H27N3O4S
Molecular weight
357.47

Names & synonyms

6-[5-(2-OXO-HEXAHYDRO-THIENO[3,4-D]IMIDAZOL-4-YL)-PENTANOYLAMINO]-HEXANOIC ACID6-(5-(2-Oxo-Hexahydro-Thieno(3,4-D)Imidazol-4-Yl)-Pentanoylamino)-Hexanoic Acid6-(5-((3aS,4S,6aR)-2-oxo-hexahydro-1H-thieno(3,4-d)imidazolidin-4-yl)pentanamido)hexanoic acid6-{5-[(3aS,4S,6aR)-2-oxo-hexahydro-1H-thieno[3,4-d]imidazolidin-4-yl]pentanamido}hexanoic acidRefChem:53945972040-64-36-(5-((3aS,4S,6aR)-2-Oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)pentanamido)hexanoic acidN-Biotinyl-6-aminohexanoic Acid6-biotinamidohexanoic acid(+)-Biotin-epsilon-aminocaproic acidN-(+)-Biotinyl-6-aminohexanoic acid(+)-Biotin-LC
Show more names
BIOTIN-LCL-Gulono-1Biotin-Hex-OHCAS_72040-64-3BIOTIN CAPROIC ACIDD-BIOTIN-AMIDOCAPROIC ACID
Biotin-XMFCD00144853Biotin XE-AMINO BIOTINYL CAPROIC ACIDN-Biotinylcaproic Acid6-[5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]hexanoic acidDB03139BH7

Database identifiers

CAS
72040-64-3
PubChem CID
446905
DTXSID
DTXSID00332237
ChEMBL
CHEMBL1231327
Nikkaji
J645.130F

Properties

Computed structural properties

XLogP
0.7
Topological polar surface area
133 Ų
Hydrogen bond donors
4
Hydrogen bond acceptors
5
Rotatable bonds
11
Heavy atoms
24

Experimental & physicochemical properties

DrugsPharmaceuticals -> Listed in ZINC15

Physicochemical properties

Melting point
220 · 220-230 °C (dec.)
Boiling point
721.3 · 721.3±55.0 °C(Predicted)
Density
1.2 · 1.200±0.06 g/cm3(Predicted)
storage temp.
-20 °C · Inert atmosphere,Store in freezer, under -20°C
solubility
DMSO (Slightly)
pka
4.75 · 4.75±0.10(Predicted)

Safety & regulation

Safety data

F
10
PPE
Eyeshields, Gloves, type N95 (US)
wgk
3
hs_code
29349990
Signal word
Warning
Symbol(GHS)
GHS07

Chemistry & industry

Applications

Usesamine reactive biotinylation reagent

UsesAn active Biotinylation reagent

Upstream & downstream products

Downstream products

Suppliers50 total

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
Shochem(Shanghai) Co.,Ltd86-21-50800795 · [email protected]
浙江博美生物技术有限公司0573-82623377 18967387295 · [email protected]
合肥翰刚医药科技有限公司+8618062405514 · [email protected]

Related reactions

3 records
New reaction record

Linked notes

Loading…