Basic information
- CAS
59724-72-0- Standard SMILES
COc1ccc(S(=O)(=O)NCCC(=O)O)cc1- InChIKey
KBHUTIQWIYFYFA-UHFFFAOYSA-N- Molecular formula
- C10H13NO5S
- Average molar mass
- 259.28 g/mol
- Monoisotopic mass
- 259.05144369
Names & identifiers
- Preferred name
- 3-(4-Methoxy-benzenesulfonylamino)-propionic acid
- IUPAC
- 3-[(4-methoxyphenyl)sulfonylamino]propanoic acid
- English name
- 3-(4-METHOXY-BENZENESULFONYLAMINO)-PROPIONIC ACID
- Molecular formula
- C10H13NO5S
- Molecular weight
- 259.28
Names & synonyms
59724-72-0N-[(4-methoxyphenyl)sulfonyl]-beta-alanine3-(4-methoxybenzenesulfonamido)propanoic acid3-(4-Methoxy-benzenesulfonylamino)-propionic acidMFCD023314343-[(4-methoxyphenyl)sulfonylamino]propanoic acid3-{[(4-methoxyphenyl)sulfonyl]amino}propanoic acidbeta-alanine, N-[(4-methoxyphenyl)sulfonyl]-3-(4-methoxyphenylsulfonamido)propanoic acidCambridge id 6665940Oprea1_033463Oprea1_232218
Show more names
AKOS BBS-00005972TIMTEC-BB SBB012046β-Alanine, N-[(4-methoxyphenyl)sulfonyl]-3-([(4-METHOXYPHENYL)SULFONYL]AMINO)PROPANOIC ACID
SCHEMBL2945763KBHUTIQWIYFYFA-UHFFFAOYSA-NALBB-012912BBL015714SBB012046STK980585AKOS000117458VS-05000
Database identifiers
- CAS
59724-72-0- PubChem CID
- 757377
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 101 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 340
Physicochemical properties
- Melting point
- 138 · 138-140 °C
- Boiling point
- 467.7 · 467.7±55.0 °C(Predicted)
- Density
- 1.352 · 1.352±0.06 g/cm3(Predicted)
- pka
- 4.2 · 4.20±0.10(Predicted)
- Hazard Codes
- Xi
- HazardClass
- IRRITANT
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
- hazard_code
- Xi
- hazard_class
- IRRITANT
Chemistry & industry
Applications
Uses3-(4-Methoxy-benzenesulfonylamino)-propionic Acid can be used for novel therapeutic agents to treat Alzheimer’s disease. It can also be used to target the hepatitis C virus helicase.
Suppliers13 total
Ryan Scientific, Inc.[email protected]
FLRO-SR[email protected]
COMBI-BLOCKS[email protected]
常州欣特科化工有限公司-
圣克鲁斯生物技术（上海）有限公司021-60936350 · [email protected]
爱必信（上海）生物科技有限公司021-38015121-8802 · [email protected]
ASINEX-REAG[email protected]
TIMTEC-BB[email protected]
MATRIX[email protected]
ENAMINE-CHI[email protected]
UKRORGSYN-BB[email protected]
CHEMCOLLECT[email protected]
Related reactions
3 records
Compound notes
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