3-hydroxy-2-methyl-3,3-diphenylpropanethioic S-acid
TL;DR: 3-hydroxy-2-methyl-3,3-diphenylpropanethioic S-acid (CAS 71023-03-5) 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.
3-hydroxy-2-methyl-3,3-diphenylpropanethioic S-acid
Also Known As: 3-hydroxy-2-methyl-3,3-diphenylpropanethioic S-acid
| Molecular Formula | C16H16O2S |
|---|---|
| Molecular Weight | 272.09 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 38.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 272.0871 |
| Heavy Atoms | 19 |
| Complexity | 286.0 |
Chemical Identifiers
| CAS Number | 71023-03-5 |
|---|---|
| SMILES | CC(C(=O)S)C(C1=CC=CC=C1)(C2=CC=CC=C2)O |
| InChIKey | LDOMPYBFUFTYLC-UHFFFAOYSA-N |
Product Overview
3-hydroxy-2-methyl-3,3-diphenylpropanethioic S-acid (CAS 71023-03-5), with molecular formula C16H16O2S and molecular weight 272.09 g/mol. IUPAC: 3-hydroxy-2-methyl-3,3-diphenylpropanethioic S-acid.
Chemical Property Profile of 3-hydroxy-2-methyl-3,3-diphenylpropanethioic S-acid
Property Insights of 3-hydroxy-2-methyl-3,3-diphenylpropanethioic S-acid
The XLogP value of 3.1 indicates that 3-hydroxy-2-methyl-3,3-diphenylpropanethioic S-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, 3-hydroxy-2-methyl-3,3-diphenylpropanethioic S-acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-hydroxy-2-methyl-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-2-methyl-3,3-diphenylpropanethioic S-acid?
The CAS number of 3-hydroxy-2-methyl-3,3-diphenylpropanethioic S-acid is 71023-03-5.
What is the molecular formula of 3-hydroxy-2-methyl-3,3-diphenylpropanethioic S-acid?
The molecular formula of 3-hydroxy-2-methyl-3,3-diphenylpropanethioic S-acid is C16H16O2S.
What is the molecular weight of 3-hydroxy-2-methyl-3,3-diphenylpropanethioic S-acid?
The molecular weight of 3-hydroxy-2-methyl-3,3-diphenylpropanethioic S-acid is 272.09 g/mol.
Where can I buy 3-hydroxy-2-methyl-3,3-diphenylpropanethioic S-acid?
You can request a quote for 3-hydroxy-2-methyl-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-2-methyl-3,3-diphenylpropanethioic S-acid?
Yes, KEHONG BIO provides custom synthesis services for 3-hydroxy-2-methyl-3,3-diphenylpropanethioic S-acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.