![3-[Phenyl-(toluene-4-sulfonyl)-amino]-propionic acid structure](/static/products/1671/1671-08-5.webp)
3-[Phenyl-(toluene-4-sulfonyl)-amino]-propionic acid
TL;DR: 3-[Phenyl-(toluene-4-sulfonyl)-amino]-propionic acid (CAS 1671-08-5) is a chemical compound with molecular formula C16H17NO4S and molecular weight 319.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(N-(4-methylphenyl)sulfonylanilino)propanoic acid
Also Known As: 3-[Phenyl-(toluene-4-sulfonyl)-amino]-propionic acid, N-Tosyl-N-phenyl-beta-alanine, 3-(((4-Methylphenyl)sulfonyl)anilino)propanoic acid, 3-(N-phenyl4-methylbenzenesulfonamido)propanoic acid, 3-(4-Methyl-N-phenylphenylsulfonamido)propanoic acid
| Molecular Formula | C16H17NO4S |
|---|---|
| Molecular Weight | 319.09 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 83.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 319.08783 |
| Heavy Atoms | 22 |
| Complexity | 457.0 |
Chemical Identifiers
| CAS Number | 1671-08-5 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)N(CCC(=O)O)C2=CC=CC=C2 |
| InChIKey | SQAMMNMSZORLLO-UHFFFAOYSA-N |
Product Overview
3-[Phenyl-(toluene-4-sulfonyl)-amino]-propionic acid (CAS 1671-08-5), with molecular formula C16H17NO4S and molecular weight 319.09 g/mol. IUPAC: 3-(N-(4-methylphenyl)sulfonylanilino)propanoic acid.
Chemical Property Profile of 3-[Phenyl-(toluene-4-sulfonyl)-amino]-propionic acid
Property Insights of 3-[Phenyl-(toluene-4-sulfonyl)-amino]-propionic acid
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[Phenyl-(toluene-4-sulfonyl)-amino]-propionic acid. The TPSA of 83.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[Phenyl-(toluene-4-sulfonyl)-amino]-propionic acid. Following Lipinski's Rule of Five, 3-[Phenyl-(toluene-4-sulfonyl)-amino]-propionic acid 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 3-[Phenyl-(toluene-4-sulfonyl)-amino]-propionic acid?
The CAS number of 3-[Phenyl-(toluene-4-sulfonyl)-amino]-propionic acid is 1671-08-5.
What is the molecular formula of 3-[Phenyl-(toluene-4-sulfonyl)-amino]-propionic acid?
The molecular formula of 3-[Phenyl-(toluene-4-sulfonyl)-amino]-propionic acid is C16H17NO4S.
What is the molecular weight of 3-[Phenyl-(toluene-4-sulfonyl)-amino]-propionic acid?
The molecular weight of 3-[Phenyl-(toluene-4-sulfonyl)-amino]-propionic acid is 319.09 g/mol.
Where can I buy 3-[Phenyl-(toluene-4-sulfonyl)-amino]-propionic acid?
You can request a quote for 3-[Phenyl-(toluene-4-sulfonyl)-amino]-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-[Phenyl-(toluene-4-sulfonyl)-amino]-propionic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-[Phenyl-(toluene-4-sulfonyl)-amino]-propionic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.