![Propanoic acid, 3-[4-(methylsulfonyl)anilino]- structure](/static/products/3139/31399-33-4.webp)
Propanoic acid, 3-[4-(methylsulfonyl)anilino]-
TL;DR: Propanoic acid, 3-[4-(methylsulfonyl)anilino]- (CAS 31399-33-4) is a chemical compound with molecular formula C10H13NO4S and molecular weight 243.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-methylsulfonylanilino)propanoic acid
Also Known As: 3-(4-methylsulfonylanilino)propanoic acid, beta-Alanine, N-[4-(methylsulfonyl)phenyl]-, 3-[4-(Methylsulfonyl)anilino]propanoic acid, 3-[4-(Methylsulfonyl)anilino]propanoic acid #, Propanoic acid, 3-[4-(methylsulfonyl)anilino]-
| Molecular Formula | C10H13NO4S |
|---|---|
| Molecular Weight | 243.06 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 91.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 243.05653 |
| Heavy Atoms | 16 |
| Complexity | 325.0 |
Chemical Identifiers
| CAS Number | 31399-33-4 |
|---|---|
| SMILES | CS(=O)(=O)C1=CC=C(C=C1)NCCC(=O)O |
| InChIKey | VPLWOTVUJHNUBV-UHFFFAOYSA-N |
Product Overview
Propanoic acid, 3-[4-(methylsulfonyl)anilino]- (CAS 31399-33-4), with molecular formula C10H13NO4S and molecular weight 243.06 g/mol. IUPAC: 3-(4-methylsulfonylanilino)propanoic acid.
Chemical Property Profile of Propanoic acid, 3-[4-(methylsulfonyl)anilino]-
Property Insights of Propanoic acid, 3-[4-(methylsulfonyl)anilino]-
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Propanoic acid, 3-[4-(methylsulfonyl)anilino]-. The TPSA of 91.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Propanoic acid, 3-[4-(methylsulfonyl)anilino]-. Following Lipinski's Rule of Five, Propanoic acid, 3-[4-(methylsulfonyl)anilino]- has 2 hydrogen bond donor(s) and 5 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 Propanoic acid, 3-[4-(methylsulfonyl)anilino]-?
The CAS number of Propanoic acid, 3-[4-(methylsulfonyl)anilino]- is 31399-33-4.
What is the molecular formula of Propanoic acid, 3-[4-(methylsulfonyl)anilino]-?
The molecular formula of Propanoic acid, 3-[4-(methylsulfonyl)anilino]- is C10H13NO4S.
What is the molecular weight of Propanoic acid, 3-[4-(methylsulfonyl)anilino]-?
The molecular weight of Propanoic acid, 3-[4-(methylsulfonyl)anilino]- is 243.06 g/mol.
Where can I buy Propanoic acid, 3-[4-(methylsulfonyl)anilino]-?
You can request a quote for Propanoic acid, 3-[4-(methylsulfonyl)anilino]- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Propanoic acid, 3-[4-(methylsulfonyl)anilino]-?
Yes, KEHONG BIO provides custom synthesis services for Propanoic acid, 3-[4-(methylsulfonyl)anilino]- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.