![2-[({[(4-Fluorophenyl)methyl]carbamoyl}methyl)sulfanyl]acetic acid structure](/static/products/3387/338794-24-4.webp)
2-[({[(4-Fluorophenyl)methyl]carbamoyl}methyl)sulfanyl]acetic acid
TL;DR: 2-[({[(4-Fluorophenyl)methyl]carbamoyl}methyl)sulfanyl]acetic acid (CAS 338794-24-4) is a chemical compound with molecular formula C11H12FNO3S and molecular weight 257.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]sulfanylacetic acid
Also Known As: 2-[({[(4-fluorophenyl)methyl]carbamoyl}methyl)sulfanyl]acetic acid, 6H-397S, 2-({2-[(4-fluorobenzyl)amino]-2-oxoethyl}sulfanyl)acetic acid, 2-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]sulfanylacetic acid, 2-((2-((4-fluorobenzyl)amino)-2-oxoethyl)sulfanyl)acetic acid
| Molecular Formula | C11H12FNO3S |
|---|---|
| Molecular Weight | 257.05 g/mol |
| LogP | 1.2597 |
| Topological Polar Surface Area | 66.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 257.0522 |
| Heavy Atoms | 17 |
| Complexity | 394.20795 |
Chemical Identifiers
| CAS Number | 338794-24-4 |
|---|---|
| SMILES | C1=CC(=CC=C1CNC(=O)CSCC(=O)O)F |
Product Overview
2-[({[(4-Fluorophenyl)methyl]carbamoyl}methyl)sulfanyl]acetic acid (CAS 338794-24-4), with molecular formula C11H12FNO3S and molecular weight 257.05 g/mol. IUPAC: 2-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]sulfanylacetic acid.
Chemical Property Profile of 2-[({[(4-Fluorophenyl)methyl]carbamoyl}methyl)sulfanyl]acetic acid
Property Insights of 2-[({[(4-Fluorophenyl)methyl]carbamoyl}methyl)sulfanyl]acetic acid
The XLogP value of 1.2597 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[({[(4-Fluorophenyl)methyl]carbamoyl}methyl)sulfanyl]acetic acid. The TPSA of 66.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[({[(4-Fluorophenyl)methyl]carbamoyl}methyl)sulfanyl]acetic acid. Following Lipinski's Rule of Five, 2-[({[(4-Fluorophenyl)methyl]carbamoyl}methyl)sulfanyl]acetic 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 2-[({[(4-Fluorophenyl)methyl]carbamoyl}methyl)sulfanyl]acetic acid?
The CAS number of 2-[({[(4-Fluorophenyl)methyl]carbamoyl}methyl)sulfanyl]acetic acid is 338794-24-4.
What is the molecular formula of 2-[({[(4-Fluorophenyl)methyl]carbamoyl}methyl)sulfanyl]acetic acid?
The molecular formula of 2-[({[(4-Fluorophenyl)methyl]carbamoyl}methyl)sulfanyl]acetic acid is C11H12FNO3S.
What is the molecular weight of 2-[({[(4-Fluorophenyl)methyl]carbamoyl}methyl)sulfanyl]acetic acid?
The molecular weight of 2-[({[(4-Fluorophenyl)methyl]carbamoyl}methyl)sulfanyl]acetic acid is 257.05 g/mol.
Where can I buy 2-[({[(4-Fluorophenyl)methyl]carbamoyl}methyl)sulfanyl]acetic acid?
You can request a quote for 2-[({[(4-Fluorophenyl)methyl]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-Fluorophenyl)methyl]carbamoyl}methyl)sulfanyl]acetic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-[({[(4-Fluorophenyl)methyl]carbamoyl}methyl)sulfanyl]acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.