3-(4-Methoxybenzenesulfonamido)propanoic acid
TL;DR: 3-(4-Methoxybenzenesulfonamido)propanoic acid (CAS 89598-96-9) is a chemical compound with molecular formula C10H13NO5S and molecular weight 259.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(4-methoxyphenyl)sulfonylamino]propanoic acid
Also Known As: 3-(4-methoxybenzenesulfonamido)propanoic acid, N-[(4-methoxyphenyl)sulfonyl]-beta-alanine, 3-(4-Methoxy-benzenesulfonylamino)-propionic acid, 3-Bromophenylboronic acid, 3-[(4-methoxyphenyl)sulfonylamino]propanoic acid
| Molecular Formula | C10H13NO5S |
|---|---|
| Molecular Weight | 259.05 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 101.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 259.05145 |
| Heavy Atoms | 17 |
| Complexity | 340.0 |
Chemical Identifiers
| CAS Number | 89598-96-9 |
|---|---|
| SMILES | COC1=CC=C(C=C1)S(=O)(=O)NCCC(=O)O |
| InChIKey | KBHUTIQWIYFYFA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-(4-Methoxybenzenesulfonamido)propanoic acid (CAS 89598-96-9), with molecular formula C10H13NO5S and molecular weight 259.05 g/mol. IUPAC: 3-[(4-methoxyphenyl)sulfonylamino]propanoic acid.
Chemical Property Profile of 3-(4-Methoxybenzenesulfonamido)propanoic acid
Property Insights of 3-(4-Methoxybenzenesulfonamido)propanoic acid
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(4-Methoxybenzenesulfonamido)propanoic acid. The TPSA of 101.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(4-Methoxybenzenesulfonamido)propanoic acid. Following Lipinski's Rule of Five, 3-(4-Methoxybenzenesulfonamido)propanoic acid has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-(4-Methoxybenzenesulfonamido)propanoic acid?
The CAS number of 3-(4-Methoxybenzenesulfonamido)propanoic acid is 89598-96-9.
What is the molecular formula of 3-(4-Methoxybenzenesulfonamido)propanoic acid?
The molecular formula of 3-(4-Methoxybenzenesulfonamido)propanoic acid is C10H13NO5S.
What is the molecular weight of 3-(4-Methoxybenzenesulfonamido)propanoic acid?
The molecular weight of 3-(4-Methoxybenzenesulfonamido)propanoic acid is 259.05 g/mol.
Where can I buy 3-(4-Methoxybenzenesulfonamido)propanoic acid?
You can request a quote for 3-(4-Methoxybenzenesulfonamido)propanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(4-Methoxybenzenesulfonamido)propanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-Methoxybenzenesulfonamido)propanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.