3-Phenylmethanesulfonyl-propionic acid
TL;DR: 3-Phenylmethanesulfonyl-propionic acid (CAS 90396-02-4) is a chemical compound with molecular formula C10H12O4S and molecular weight 228.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-benzylsulfonylpropanoic acid
Also Known As: 3-(benzylsulfonyl)propanoic acid, 3-Phenylmethanesulfonyl-propionic acid, 3-benzylsulfonylpropanoic acid, 3-phenylmethanesulfonylpropanoic acid, 3-Benzylsulfonyl-propionsaeure
| Molecular Formula | C10H12O4S |
|---|---|
| Molecular Weight | 228.05 g/mol |
| LogP | 1.0761 |
| Topological Polar Surface Area | 71.44 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 228.04562 |
| Heavy Atoms | 15 |
| Complexity | 421.99542 |
Chemical Identifiers
| CAS Number | 90396-02-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)CS(=O)(=O)CCC(=O)O |
Product Overview
3-Phenylmethanesulfonyl-propionic acid (CAS 90396-02-4), with molecular formula C10H12O4S and molecular weight 228.05 g/mol. IUPAC: 3-benzylsulfonylpropanoic acid.
Chemical Property Profile of 3-Phenylmethanesulfonyl-propionic acid
Property Insights of 3-Phenylmethanesulfonyl-propionic acid
The XLogP value of 1.0761 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Phenylmethanesulfonyl-propionic acid. The TPSA of 71.44 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Phenylmethanesulfonyl-propionic acid. Following Lipinski's Rule of Five, 3-Phenylmethanesulfonyl-propionic acid has 1 hydrogen bond donor(s) and 3 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-Phenylmethanesulfonyl-propionic acid?
The CAS number of 3-Phenylmethanesulfonyl-propionic acid is 90396-02-4.
What is the molecular formula of 3-Phenylmethanesulfonyl-propionic acid?
The molecular formula of 3-Phenylmethanesulfonyl-propionic acid is C10H12O4S.
What is the molecular weight of 3-Phenylmethanesulfonyl-propionic acid?
The molecular weight of 3-Phenylmethanesulfonyl-propionic acid is 228.05 g/mol.
Where can I buy 3-Phenylmethanesulfonyl-propionic acid?
You can request a quote for 3-Phenylmethanesulfonyl-propionic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Phenylmethanesulfonyl-propionic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-Phenylmethanesulfonyl-propionic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.