3-hydroxy-3,3-diphenylpropanethioic S-acid
TL;DR: 3-hydroxy-3,3-diphenylpropanethioic S-acid (CAS 71022-99-6) is a chemical compound with molecular formula C15H14O2S and molecular weight 258.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-hydroxy-3,3-diphenylpropanethioic S-acid
Also Known As: 3-hydroxy-3,3-diphenylpropanethioic S-acid
| Molecular Formula | C15H14O2S |
|---|---|
| Molecular Weight | 258.07 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 38.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 258.07144 |
| Heavy Atoms | 18 |
| Complexity | 260.0 |
Chemical Identifiers
| CAS Number | 71022-99-6 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(CC(=O)S)(C2=CC=CC=C2)O |
| InChIKey | JHJKJCBHNOLPDR-UHFFFAOYSA-N |
Product Overview
3-hydroxy-3,3-diphenylpropanethioic S-acid (CAS 71022-99-6), with molecular formula C15H14O2S and molecular weight 258.07 g/mol. IUPAC: 3-hydroxy-3,3-diphenylpropanethioic S-acid.
Chemical Property Profile of 3-hydroxy-3,3-diphenylpropanethioic S-acid
Property Insights of 3-hydroxy-3,3-diphenylpropanethioic S-acid
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-hydroxy-3,3-diphenylpropanethioic S-acid. With a topological polar surface area (TPSA) of 38.3 Ų, 3-hydroxy-3,3-diphenylpropanethioic S-acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-hydroxy-3,3-diphenylpropanethioic S-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 3-hydroxy-3,3-diphenylpropanethioic S-acid?
The CAS number of 3-hydroxy-3,3-diphenylpropanethioic S-acid is 71022-99-6.
What is the molecular formula of 3-hydroxy-3,3-diphenylpropanethioic S-acid?
The molecular formula of 3-hydroxy-3,3-diphenylpropanethioic S-acid is C15H14O2S.
What is the molecular weight of 3-hydroxy-3,3-diphenylpropanethioic S-acid?
The molecular weight of 3-hydroxy-3,3-diphenylpropanethioic S-acid is 258.07 g/mol.
Where can I buy 3-hydroxy-3,3-diphenylpropanethioic S-acid?
You can request a quote for 3-hydroxy-3,3-diphenylpropanethioic S-acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-hydroxy-3,3-diphenylpropanethioic S-acid?
Yes, KEHONG BIO provides custom synthesis services for 3-hydroxy-3,3-diphenylpropanethioic S-acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.