![4-({[N-(4-ethylphenyl)carbamoyl]methylthio}methyl)benzoic acid structure](/static/products/6863/686325-55-3.webp)
4-({[N-(4-ethylphenyl)carbamoyl]methylthio}methyl)benzoic acid
TL;DR: 4-({[N-(4-ethylphenyl)carbamoyl]methylthio}methyl)benzoic acid (CAS 686325-55-3) is a chemical compound with molecular formula C18H19NO3S and molecular weight 329.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[2-(4-ethylanilino)-2-oxoethyl]sulfanylmethyl]benzoic acid
Also Known As: AS-871/42087225, 4-[({[(4-ethylphenyl)carbamoyl]methyl}sulfanyl)methyl]benzoic acid, 4-[({[(4-ethylphenyl)carbamoyl]methyl}sulfanyl)methyl]benzoicacid, 4-[({2-[(4-ethylphenyl)amino]-2-oxoethyl}thio)methyl]benzoic acid, 4-[(4-ethylphenyl)carbamoylmethylsulfanylmethyl]benzoic Acid
| Molecular Formula | C18H19NO3S |
|---|---|
| Molecular Weight | 329.11 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 91.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 329.10855 |
| Heavy Atoms | 23 |
| Complexity | 386.0 |
Chemical Identifiers
| CAS Number | 686325-55-3 |
|---|---|
| SMILES | CCC1=CC=C(C=C1)NC(=O)CSCC2=CC=C(C=C2)C(=O)O |
| InChIKey | QFBRKYVORNMEDM-UHFFFAOYSA-N |
Product Overview
4-({[N-(4-ethylphenyl)carbamoyl]methylthio}methyl)benzoic acid (CAS 686325-55-3), with molecular formula C18H19NO3S and molecular weight 329.11 g/mol. IUPAC: 4-[[2-(4-ethylanilino)-2-oxoethyl]sulfanylmethyl]benzoic acid.
Chemical Property Profile of 4-({[N-(4-ethylphenyl)carbamoyl]methylthio}methyl)benzoic acid
Property Insights of 4-({[N-(4-ethylphenyl)carbamoyl]methylthio}methyl)benzoic acid
The XLogP value of 3.6 indicates that 4-({[N-(4-ethylphenyl)carbamoyl]methylthio}methyl)benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 91.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-({[N-(4-ethylphenyl)carbamoyl]methylthio}methyl)benzoic acid. Following Lipinski's Rule of Five, 4-({[N-(4-ethylphenyl)carbamoyl]methylthio}methyl)benzoic acid has 2 hydrogen bond donor(s) and 4 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-({[N-(4-ethylphenyl)carbamoyl]methylthio}methyl)benzoic acid?
The CAS number of 4-({[N-(4-ethylphenyl)carbamoyl]methylthio}methyl)benzoic acid is 686325-55-3.
What is the molecular formula of 4-({[N-(4-ethylphenyl)carbamoyl]methylthio}methyl)benzoic acid?
The molecular formula of 4-({[N-(4-ethylphenyl)carbamoyl]methylthio}methyl)benzoic acid is C18H19NO3S.
What is the molecular weight of 4-({[N-(4-ethylphenyl)carbamoyl]methylthio}methyl)benzoic acid?
The molecular weight of 4-({[N-(4-ethylphenyl)carbamoyl]methylthio}methyl)benzoic acid is 329.11 g/mol.
Where can I buy 4-({[N-(4-ethylphenyl)carbamoyl]methylthio}methyl)benzoic acid?
You can request a quote for 4-({[N-(4-ethylphenyl)carbamoyl]methylthio}methyl)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-({[N-(4-ethylphenyl)carbamoyl]methylthio}methyl)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-({[N-(4-ethylphenyl)carbamoyl]methylthio}methyl)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.