Diphenyl(sulfanyl)acetic acid
TL;DR: Diphenyl(sulfanyl)acetic acid (CAS 477602-54-3) is a chemical compound with molecular formula C14H12O2S and molecular weight 244.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2-diphenyl-2-sulfanylacetic acid
Also Known As: diphenyl(sulfanyl)acetic acid, 2,2-diphenyl-2-sulfanylacetic acid, mercapto diphenylacetic acid, 2,2-diphenyl-2-mercaptoacetic acid, 2-Mercapto-2,2-diphenylacetic acid
| Molecular Formula | C14H12O2S |
|---|---|
| Molecular Weight | 244.06 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 38.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 244.0558 |
| Heavy Atoms | 17 |
| Complexity | 247.0 |
Chemical Identifiers
| CAS Number | 477602-54-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(C2=CC=CC=C2)(C(=O)O)S |
| InChIKey | JQCAMTODVTZCAE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Diphenyl(sulfanyl)acetic acid (CAS 477602-54-3), with molecular formula C14H12O2S and molecular weight 244.06 g/mol. IUPAC: 2,2-diphenyl-2-sulfanylacetic acid.
Chemical Property Profile of Diphenyl(sulfanyl)acetic acid
Property Insights of Diphenyl(sulfanyl)acetic acid
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diphenyl(sulfanyl)acetic acid. With a topological polar surface area (TPSA) of 38.3 Ų, Diphenyl(sulfanyl)acetic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Diphenyl(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 Diphenyl(sulfanyl)acetic acid?
The CAS number of Diphenyl(sulfanyl)acetic acid is 477602-54-3.
What is the molecular formula of Diphenyl(sulfanyl)acetic acid?
The molecular formula of Diphenyl(sulfanyl)acetic acid is C14H12O2S.
What is the molecular weight of Diphenyl(sulfanyl)acetic acid?
The molecular weight of Diphenyl(sulfanyl)acetic acid is 244.06 g/mol.
Where can I buy Diphenyl(sulfanyl)acetic acid?
You can request a quote for Diphenyl(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 Diphenyl(sulfanyl)acetic acid?
Yes, KEHONG BIO provides custom synthesis services for Diphenyl(sulfanyl)acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.