![3-{N-[2-(4-chlorophenylthio)phenyl]carbamoyl}propanoic acid structure](/static/products/904/904792-37-6.png)
3-{N-[2-(4-chlorophenylthio)phenyl]carbamoyl}propanoic acid
TL;DR: 3-{N-[2-(4-chlorophenylthio)phenyl]carbamoyl}propanoic acid (CAS 904792-37-6) is a chemical compound with molecular formula C16H14ClNO3S and molecular weight 335.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[2-(4-chlorophenyl)sulfanylanilino]-4-oxobutanoic acid
Also Known As: 4-[2-(4-chlorophenyl)sulfanylanilino]-4-oxobutanoic acid, 3-[[2-(4-chlorophenyl)sulfanylphenyl]carbamoyl]propanoic Acid, 3-{N-[2-(4-chlorophenylthio)phenyl]carbamoyl}propanoic acid, 4-((2-((4-chlorophenyl)thio)phenyl)amino)-4-oxobutanoic acid, 4-({2-[(4-chlorophenyl)sulfanyl]phenyl}amino)-4-oxobutanoic acid
| Molecular Formula | C16H14ClNO3S |
|---|---|
| Molecular Weight | 335.04 g/mol |
| LogP | 4.2945 |
| Topological Polar Surface Area | 66.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 335.0383 |
| Heavy Atoms | 22 |
| Complexity | 673.34607 |
Chemical Identifiers
| CAS Number | 904792-37-6 |
|---|---|
| SMILES | C1=CC=C(C(=C1)NC(=O)CCC(=O)O)SC2=CC=C(C=C2)Cl |
Product Overview
3-{N-[2-(4-chlorophenylthio)phenyl]carbamoyl}propanoic acid (CAS 904792-37-6), with molecular formula C16H14ClNO3S and molecular weight 335.04 g/mol. IUPAC: 4-[2-(4-chlorophenyl)sulfanylanilino]-4-oxobutanoic acid.
Chemical Property Profile of 3-{N-[2-(4-chlorophenylthio)phenyl]carbamoyl}propanoic acid
Property Insights of 3-{N-[2-(4-chlorophenylthio)phenyl]carbamoyl}propanoic acid
The XLogP value of 4.2945 indicates that 3-{N-[2-(4-chlorophenylthio)phenyl]carbamoyl}propanoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-{N-[2-(4-chlorophenylthio)phenyl]carbamoyl}propanoic acid. Following Lipinski's Rule of Five, 3-{N-[2-(4-chlorophenylthio)phenyl]carbamoyl}propanoic acid has 2 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-{N-[2-(4-chlorophenylthio)phenyl]carbamoyl}propanoic acid?
The CAS number of 3-{N-[2-(4-chlorophenylthio)phenyl]carbamoyl}propanoic acid is 904792-37-6.
What is the molecular formula of 3-{N-[2-(4-chlorophenylthio)phenyl]carbamoyl}propanoic acid?
The molecular formula of 3-{N-[2-(4-chlorophenylthio)phenyl]carbamoyl}propanoic acid is C16H14ClNO3S.
What is the molecular weight of 3-{N-[2-(4-chlorophenylthio)phenyl]carbamoyl}propanoic acid?
The molecular weight of 3-{N-[2-(4-chlorophenylthio)phenyl]carbamoyl}propanoic acid is 335.04 g/mol.
Where can I buy 3-{N-[2-(4-chlorophenylthio)phenyl]carbamoyl}propanoic acid?
You can request a quote for 3-{N-[2-(4-chlorophenylthio)phenyl]carbamoyl}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-{N-[2-(4-chlorophenylthio)phenyl]carbamoyl}propanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-{N-[2-(4-chlorophenylthio)phenyl]carbamoyl}propanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.