![Propanoic acid, 3-[N-acetyl-4-(methylsulfonyl)anilino]- structure](/static/products/313/31399-42-5.png)
Propanoic acid, 3-[N-acetyl-4-(methylsulfonyl)anilino]-
TL;DR: Propanoic acid, 3-[N-acetyl-4-(methylsulfonyl)anilino]- (CAS 31399-42-5) is a chemical compound with molecular formula C12H15NO5S and molecular weight 285.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(N-acetyl-4-methylsulfonylanilino)propanoic acid
Also Known As: beta-Alanine, N-acetyl-N-[p-(methylsulfonyl)phenyl]-, 3-(N-acetyl-4-methylsulfonylanilino)propanoic acid, 3-[Acetyl-4-(methylsulfonyl)anilino]propanoic acid, 3-[Acetyl-4-(methylsulfonyl)anilino]propanoic acid #, Propanoic acid, 3-[N-acetyl-4-(methylsulfonyl)anilino]-
| Molecular Formula | C12H15NO5S |
|---|---|
| Molecular Weight | 285.07 g/mol |
| LogP | 0.0 |
| Topological Polar Surface Area | 100.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 285.0671 |
| Heavy Atoms | 19 |
| Complexity | 432.0 |
Chemical Identifiers
| CAS Number | 31399-42-5 |
|---|---|
| SMILES | CC(=O)N(CCC(=O)O)C1=CC=C(C=C1)S(=O)(=O)C |
| InChIKey | LTXKJYWRLIEKPJ-UHFFFAOYSA-N |
Product Overview
Propanoic acid, 3-[N-acetyl-4-(methylsulfonyl)anilino]- (CAS 31399-42-5), with molecular formula C12H15NO5S and molecular weight 285.07 g/mol. IUPAC: 3-(N-acetyl-4-methylsulfonylanilino)propanoic acid.
Chemical Property Profile of Propanoic acid, 3-[N-acetyl-4-(methylsulfonyl)anilino]-
Property Insights of Propanoic acid, 3-[N-acetyl-4-(methylsulfonyl)anilino]-
The XLogP value of 0.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Propanoic acid, 3-[N-acetyl-4-(methylsulfonyl)anilino]-. The TPSA of 100.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Propanoic acid, 3-[N-acetyl-4-(methylsulfonyl)anilino]-. Following Lipinski's Rule of Five, Propanoic acid, 3-[N-acetyl-4-(methylsulfonyl)anilino]- has 1 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-[N-acetyl-4-(methylsulfonyl)anilino]-?
The CAS number of Propanoic acid, 3-[N-acetyl-4-(methylsulfonyl)anilino]- is 31399-42-5.
What is the molecular formula of Propanoic acid, 3-[N-acetyl-4-(methylsulfonyl)anilino]-?
The molecular formula of Propanoic acid, 3-[N-acetyl-4-(methylsulfonyl)anilino]- is C12H15NO5S.
What is the molecular weight of Propanoic acid, 3-[N-acetyl-4-(methylsulfonyl)anilino]-?
The molecular weight of Propanoic acid, 3-[N-acetyl-4-(methylsulfonyl)anilino]- is 285.07 g/mol.
Where can I buy Propanoic acid, 3-[N-acetyl-4-(methylsulfonyl)anilino]-?
You can request a quote for Propanoic acid, 3-[N-acetyl-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-[N-acetyl-4-(methylsulfonyl)anilino]-?
Yes, KEHONG BIO provides custom synthesis services for Propanoic acid, 3-[N-acetyl-4-(methylsulfonyl)anilino]- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.