![4-Methyl-3-{[(phenylsulfanyl)acetyl]amino}benzoic acid structure](/static/products/847/847476-38-4.png)
4-Methyl-3-{[(phenylsulfanyl)acetyl]amino}benzoic acid
TL;DR: 4-Methyl-3-{[(phenylsulfanyl)acetyl]amino}benzoic acid (CAS 847476-38-4) is a chemical compound with molecular formula C16H15NO3S and molecular weight 301.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methyl-3-[(2-phenylsulfanylacetyl)amino]benzoic acid
Also Known As: 4-methyl-3-[(2-phenylsulfanylacetyl)amino]benzoic Acid, 4-methyl-3-{[(phenylsulfanyl)acetyl]amino}benzoic acid, 4-methyl-3-{[(phenylthio)acetyl]amino}benzoic acid
| Molecular Formula | C16H15NO3S |
|---|---|
| Molecular Weight | 301.08 g/mol |
| LogP | 3.42402 |
| Topological Polar Surface Area | 66.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 301.07727 |
| Heavy Atoms | 21 |
| Complexity | 655.8266 |
Chemical Identifiers
| CAS Number | 847476-38-4 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)C(=O)O)NC(=O)CSC2=CC=CC=C2 |
Product Overview
4-Methyl-3-{[(phenylsulfanyl)acetyl]amino}benzoic acid (CAS 847476-38-4), with molecular formula C16H15NO3S and molecular weight 301.08 g/mol. IUPAC: 4-methyl-3-[(2-phenylsulfanylacetyl)amino]benzoic acid.
Chemical Property Profile of 4-Methyl-3-{[(phenylsulfanyl)acetyl]amino}benzoic acid
Property Insights of 4-Methyl-3-{[(phenylsulfanyl)acetyl]amino}benzoic acid
The XLogP value of 3.42402 indicates that 4-Methyl-3-{[(phenylsulfanyl)acetyl]amino}benzoic 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 4-Methyl-3-{[(phenylsulfanyl)acetyl]amino}benzoic acid. Following Lipinski's Rule of Five, 4-Methyl-3-{[(phenylsulfanyl)acetyl]amino}benzoic 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 4-Methyl-3-{[(phenylsulfanyl)acetyl]amino}benzoic acid?
The CAS number of 4-Methyl-3-{[(phenylsulfanyl)acetyl]amino}benzoic acid is 847476-38-4.
What is the molecular formula of 4-Methyl-3-{[(phenylsulfanyl)acetyl]amino}benzoic acid?
The molecular formula of 4-Methyl-3-{[(phenylsulfanyl)acetyl]amino}benzoic acid is C16H15NO3S.
What is the molecular weight of 4-Methyl-3-{[(phenylsulfanyl)acetyl]amino}benzoic acid?
The molecular weight of 4-Methyl-3-{[(phenylsulfanyl)acetyl]amino}benzoic acid is 301.08 g/mol.
Where can I buy 4-Methyl-3-{[(phenylsulfanyl)acetyl]amino}benzoic acid?
You can request a quote for 4-Methyl-3-{[(phenylsulfanyl)acetyl]amino}benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Methyl-3-{[(phenylsulfanyl)acetyl]amino}benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-Methyl-3-{[(phenylsulfanyl)acetyl]amino}benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.