![2-({[(4-Cyanophenyl)carbamoyl]methyl}sulfanyl)acetic acid structure](/static/products/3384/338409-71-5.webp)
2-({[(4-Cyanophenyl)carbamoyl]methyl}sulfanyl)acetic acid
TL;DR: 2-({[(4-Cyanophenyl)carbamoyl]methyl}sulfanyl)acetic acid (CAS 338409-71-5) is a chemical compound with molecular formula C11H10N2O3S and molecular weight 250.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-(4-cyanoanilino)-2-oxoethyl]sulfanylacetic acid
Also Known As: 2-({[(4-cyanophenyl)carbamoyl]methyl}sulfanyl)acetic acid, 2-{[2-(4-cyanoanilino)-2-oxoethyl]sulfanyl}acetic acid, 2-[2-(4-cyanoanilino)-2-oxoethyl]sulfanylacetic acid, 2-[(4-cyanophenyl)carbamoylmethylsulfanyl]acetic Acid, 2-({[(4-cyanophenyl)carbamoyl]methyl}sulfanyl)aceticacid
| Molecular Formula | C11H10N2O3S |
|---|---|
| Molecular Weight | 250.04 g/mol |
| LogP | 1.31458 |
| Topological Polar Surface Area | 90.19 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 250.04121 |
| Heavy Atoms | 17 |
| Complexity | 450.7795 |
Chemical Identifiers
| CAS Number | 338409-71-5 |
|---|---|
| SMILES | C1=CC(=CC=C1C#N)NC(=O)CSCC(=O)O |
Product Overview
2-({[(4-Cyanophenyl)carbamoyl]methyl}sulfanyl)acetic acid (CAS 338409-71-5), with molecular formula C11H10N2O3S and molecular weight 250.04 g/mol. IUPAC: 2-[2-(4-cyanoanilino)-2-oxoethyl]sulfanylacetic acid.
Chemical Property Profile of 2-({[(4-Cyanophenyl)carbamoyl]methyl}sulfanyl)acetic acid
Property Insights of 2-({[(4-Cyanophenyl)carbamoyl]methyl}sulfanyl)acetic acid
The XLogP value of 1.31458 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-({[(4-Cyanophenyl)carbamoyl]methyl}sulfanyl)acetic acid. The TPSA of 90.19 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-({[(4-Cyanophenyl)carbamoyl]methyl}sulfanyl)acetic acid. Following Lipinski's Rule of Five, 2-({[(4-Cyanophenyl)carbamoyl]methyl}sulfanyl)acetic 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 2-({[(4-Cyanophenyl)carbamoyl]methyl}sulfanyl)acetic acid?
The CAS number of 2-({[(4-Cyanophenyl)carbamoyl]methyl}sulfanyl)acetic acid is 338409-71-5.
What is the molecular formula of 2-({[(4-Cyanophenyl)carbamoyl]methyl}sulfanyl)acetic acid?
The molecular formula of 2-({[(4-Cyanophenyl)carbamoyl]methyl}sulfanyl)acetic acid is C11H10N2O3S.
What is the molecular weight of 2-({[(4-Cyanophenyl)carbamoyl]methyl}sulfanyl)acetic acid?
The molecular weight of 2-({[(4-Cyanophenyl)carbamoyl]methyl}sulfanyl)acetic acid is 250.04 g/mol.
Where can I buy 2-({[(4-Cyanophenyl)carbamoyl]methyl}sulfanyl)acetic acid?
You can request a quote for 2-({[(4-Cyanophenyl)carbamoyl]methyl}sulfanyl)acetic 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-Cyanophenyl)carbamoyl]methyl}sulfanyl)acetic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-({[(4-Cyanophenyl)carbamoyl]methyl}sulfanyl)acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.