![2-[({[4-(Methoxycarbonyl)phenyl]carbamoyl}methyl)sulfanyl]benzoic acid structure](/static/products/3260/326015-91-2.webp)
2-[({[4-(Methoxycarbonyl)phenyl]carbamoyl}methyl)sulfanyl]benzoic acid
TL;DR: 2-[({[4-(Methoxycarbonyl)phenyl]carbamoyl}methyl)sulfanyl]benzoic acid (CAS 326015-91-2) is a chemical compound with molecular formula C17H15NO5S and molecular weight 345.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-(4-methoxycarbonylanilino)-2-oxoethyl]sulfanylbenzoic acid
Also Known As: 2-[({[4-(methoxycarbonyl)phenyl]carbamoyl}methyl)sulfanyl]benzoic acid, 2-[(2-{[4-(methoxycarbonyl)phenyl]amino}-2-oxoethyl)thio]benzoic acid, 2-[2-(4-methoxycarbonylanilino)-2-oxoethyl]sulfanylbenzoic acid, 2-[(4-methoxycarbonylphenyl)carbamoylmethylsulfanyl]benzoic Acid, 2-({N-[4-(methoxycarbonyl)phenyl]carbamoyl}methylthio)benzoic acid
| Molecular Formula | C17H15NO5S |
|---|---|
| Molecular Weight | 345.07 g/mol |
| LogP | 2.9022 |
| Topological Polar Surface Area | 92.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 345.0671 |
| Heavy Atoms | 24 |
| Complexity | 757.8312 |
Chemical Identifiers
| CAS Number | 326015-91-2 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)NC(=O)CSC2=CC=CC=C2C(=O)O |
Product Overview
2-[({[4-(Methoxycarbonyl)phenyl]carbamoyl}methyl)sulfanyl]benzoic acid (CAS 326015-91-2), with molecular formula C17H15NO5S and molecular weight 345.07 g/mol. IUPAC: 2-[2-(4-methoxycarbonylanilino)-2-oxoethyl]sulfanylbenzoic acid.
Chemical Property Profile of 2-[({[4-(Methoxycarbonyl)phenyl]carbamoyl}methyl)sulfanyl]benzoic acid
Property Insights of 2-[({[4-(Methoxycarbonyl)phenyl]carbamoyl}methyl)sulfanyl]benzoic acid
The XLogP value of 2.9022 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[({[4-(Methoxycarbonyl)phenyl]carbamoyl}methyl)sulfanyl]benzoic acid. The TPSA of 92.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[({[4-(Methoxycarbonyl)phenyl]carbamoyl}methyl)sulfanyl]benzoic acid. Following Lipinski's Rule of Five, 2-[({[4-(Methoxycarbonyl)phenyl]carbamoyl}methyl)sulfanyl]benzoic acid 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 2-[({[4-(Methoxycarbonyl)phenyl]carbamoyl}methyl)sulfanyl]benzoic acid?
The CAS number of 2-[({[4-(Methoxycarbonyl)phenyl]carbamoyl}methyl)sulfanyl]benzoic acid is 326015-91-2.
What is the molecular formula of 2-[({[4-(Methoxycarbonyl)phenyl]carbamoyl}methyl)sulfanyl]benzoic acid?
The molecular formula of 2-[({[4-(Methoxycarbonyl)phenyl]carbamoyl}methyl)sulfanyl]benzoic acid is C17H15NO5S.
What is the molecular weight of 2-[({[4-(Methoxycarbonyl)phenyl]carbamoyl}methyl)sulfanyl]benzoic acid?
The molecular weight of 2-[({[4-(Methoxycarbonyl)phenyl]carbamoyl}methyl)sulfanyl]benzoic acid is 345.07 g/mol.
Where can I buy 2-[({[4-(Methoxycarbonyl)phenyl]carbamoyl}methyl)sulfanyl]benzoic acid?
You can request a quote for 2-[({[4-(Methoxycarbonyl)phenyl]carbamoyl}methyl)sulfanyl]benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[({[4-(Methoxycarbonyl)phenyl]carbamoyl}methyl)sulfanyl]benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-[({[4-(Methoxycarbonyl)phenyl]carbamoyl}methyl)sulfanyl]benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.