S-(4-Fluorophenyl)mercapturic Acid
TL;DR: S-(4-Fluorophenyl)mercapturic Acid (CAS 331-93-1) 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-acetamido-3-(4-fluorophenyl)sulfanylpropanoic acid
Also Known As: S-(4-Fluorophenyl)mercapturic Acid, p-Fluoro-S-phenylmercapturic Acid, N-Acetyl-S-(4-fluorophenyl)cysteine, 2-acetamido-3-(4-fluorophenyl)sulfanylpropanoic acid, N-Acetyl-3-[(p-fluorophenyl)thio]alanine
| Molecular Formula | C11H12FNO3S |
|---|---|
| Molecular Weight | 257.05 g/mol |
| LogP | 1.5071 |
| Topological Polar Surface Area | 66.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 257.0522 |
| Heavy Atoms | 17 |
| Complexity | 407.6825 |
Chemical Identifiers
| CAS Number | 331-93-1 |
|---|---|
| SMILES | CC(=O)NC(CSC1=CC=C(C=C1)F)C(=O)O |
Product Overview
S-(4-Fluorophenyl)mercapturic Acid (CAS 331-93-1), with molecular formula C11H12FNO3S and molecular weight 257.05 g/mol. IUPAC: 2-acetamido-3-(4-fluorophenyl)sulfanylpropanoic acid.
Chemical Property Profile of S-(4-Fluorophenyl)mercapturic Acid
Property Insights of S-(4-Fluorophenyl)mercapturic Acid
The XLogP value of 1.5071 suggests moderate lipophilicity, balancing water solubility and membrane permeability for S-(4-Fluorophenyl)mercapturic Acid. The TPSA of 66.4 Ų falls within the moderate polarity range, balancing permeability and solubility for S-(4-Fluorophenyl)mercapturic Acid. Following Lipinski's Rule of Five, S-(4-Fluorophenyl)mercapturic 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 S-(4-Fluorophenyl)mercapturic Acid?
The CAS number of S-(4-Fluorophenyl)mercapturic Acid is 331-93-1.
What is the molecular formula of S-(4-Fluorophenyl)mercapturic Acid?
The molecular formula of S-(4-Fluorophenyl)mercapturic Acid is C11H12FNO3S.
What is the molecular weight of S-(4-Fluorophenyl)mercapturic Acid?
The molecular weight of S-(4-Fluorophenyl)mercapturic Acid is 257.05 g/mol.
Where can I buy S-(4-Fluorophenyl)mercapturic Acid?
You can request a quote for S-(4-Fluorophenyl)mercapturic Acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for S-(4-Fluorophenyl)mercapturic Acid?
Yes, KEHONG BIO provides custom synthesis services for S-(4-Fluorophenyl)mercapturic Acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.