2,2-Diphenyl-4-mercapto-butyric acid
TL;DR: 2,2-Diphenyl-4-mercapto-butyric acid (CAS 73758-57-3) is a chemical compound with molecular formula C16H16O2S and molecular weight 272.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2-diphenyl-4-sulfanylbutanoic acid
Also Known As: 2,2-Diphenyl-4-mercaptobutyric acid, 2,2-diphenyl-4-sulfanylbutanoic acid, 2,2-Diphenyl-4-mercapto-butyric acid, BUTYRIC ACID, 2,2-DIPHENYL-4-MERCAPTO-, Butyric acid,2-diphenyl-4-mercapto-
| Molecular Formula | C16H16O2S |
|---|---|
| Molecular Weight | 272.09 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 38.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 272.0871 |
| Heavy Atoms | 19 |
| Complexity | 273.0 |
Chemical Identifiers
| CAS Number | 73758-57-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(CCS)(C2=CC=CC=C2)C(=O)O |
| InChIKey | ZWILEONEUTXNPU-UHFFFAOYSA-N |
Product Overview
2,2-Diphenyl-4-mercapto-butyric acid (CAS 73758-57-3), with molecular formula C16H16O2S and molecular weight 272.09 g/mol. IUPAC: 2,2-diphenyl-4-sulfanylbutanoic acid.
Chemical Property Profile of 2,2-Diphenyl-4-mercapto-butyric acid
Property Insights of 2,2-Diphenyl-4-mercapto-butyric acid
The XLogP value of 3.5 indicates that 2,2-Diphenyl-4-mercapto-butyric acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.3 Ų, 2,2-Diphenyl-4-mercapto-butyric acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,2-Diphenyl-4-mercapto-butyric 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 2,2-Diphenyl-4-mercapto-butyric acid?
The CAS number of 2,2-Diphenyl-4-mercapto-butyric acid is 73758-57-3.
What is the molecular formula of 2,2-Diphenyl-4-mercapto-butyric acid?
The molecular formula of 2,2-Diphenyl-4-mercapto-butyric acid is C16H16O2S.
What is the molecular weight of 2,2-Diphenyl-4-mercapto-butyric acid?
The molecular weight of 2,2-Diphenyl-4-mercapto-butyric acid is 272.09 g/mol.
Where can I buy 2,2-Diphenyl-4-mercapto-butyric acid?
You can request a quote for 2,2-Diphenyl-4-mercapto-butyric acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,2-Diphenyl-4-mercapto-butyric acid?
Yes, KEHONG BIO provides custom synthesis services for 2,2-Diphenyl-4-mercapto-butyric acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.