3-(4-Methoxybenzenesulfonyl)propanoic acid
TL;DR: 3-(4-Methoxybenzenesulfonyl)propanoic acid (CAS 20857-46-9) is a chemical compound with molecular formula C10H12O5S and molecular weight 244.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-methoxyphenyl)sulfonylpropanoic acid
Also Known As: 3-[(4-methoxyphenyl)sulfonyl]propanoic acid, 3-((4-methoxyphenyl)sulfonyl)propanoic acid, 5-Nitrobenzothiazole, 3-(4-Methoxy-benzenesulfonyl)-propionic acid, 3-(4-methoxybenzenesulfonyl)propanoic acid
| Molecular Formula | C10H12O5S |
|---|---|
| Molecular Weight | 244.04 g/mol |
| LogP | 0.9436 |
| Topological Polar Surface Area | 80.67 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 244.04054 |
| Heavy Atoms | 16 |
| Complexity | 460.48767 |
Chemical Identifiers
| CAS Number | 20857-46-9 |
|---|---|
| SMILES | COC1=CC=C(C=C1)S(=O)(=O)CCC(=O)O |
Product Overview
3-(4-Methoxybenzenesulfonyl)propanoic acid (CAS 20857-46-9), with molecular formula C10H12O5S and molecular weight 244.04 g/mol. IUPAC: 3-(4-methoxyphenyl)sulfonylpropanoic acid.
Chemical Property Profile of 3-(4-Methoxybenzenesulfonyl)propanoic acid
Property Insights of 3-(4-Methoxybenzenesulfonyl)propanoic acid
The XLogP value of 0.9436 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(4-Methoxybenzenesulfonyl)propanoic acid. The TPSA of 80.67 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(4-Methoxybenzenesulfonyl)propanoic acid. Following Lipinski's Rule of Five, 3-(4-Methoxybenzenesulfonyl)propanoic acid has 1 hydrogen bond donor(s) and 4 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-Methoxybenzenesulfonyl)propanoic acid?
The CAS number of 3-(4-Methoxybenzenesulfonyl)propanoic acid is 20857-46-9.
What is the molecular formula of 3-(4-Methoxybenzenesulfonyl)propanoic acid?
The molecular formula of 3-(4-Methoxybenzenesulfonyl)propanoic acid is C10H12O5S.
What is the molecular weight of 3-(4-Methoxybenzenesulfonyl)propanoic acid?
The molecular weight of 3-(4-Methoxybenzenesulfonyl)propanoic acid is 244.04 g/mol.
Where can I buy 3-(4-Methoxybenzenesulfonyl)propanoic acid?
You can request a quote for 3-(4-Methoxybenzenesulfonyl)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-Methoxybenzenesulfonyl)propanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-Methoxybenzenesulfonyl)propanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.