S-phenyl 3-hydroxy-3,3-diphenylpropanethioate
TL;DR: S-phenyl 3-hydroxy-3,3-diphenylpropanethioate (CAS 58058-61-0) is a chemical compound with molecular formula C21H18O2S and molecular weight 334.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-phenyl 3-hydroxy-3,3-diphenylpropanethioate
Also Known As: S-phenyl 3-hydroxy-3,3-diphenylpropanethioate, RefChem:379577
| Molecular Formula | C21H18O2S |
|---|---|
| Molecular Weight | 334.10 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 62.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 334.10275 |
| Heavy Atoms | 24 |
| Complexity | 373.0 |
Chemical Identifiers
| CAS Number | 58058-61-0 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(CC(=O)SC2=CC=CC=C2)(C3=CC=CC=C3)O |
| InChIKey | LQXSUUPLLNXZEB-UHFFFAOYSA-N |
Product Overview
S-phenyl 3-hydroxy-3,3-diphenylpropanethioate (CAS 58058-61-0), with molecular formula C21H18O2S and molecular weight 334.10 g/mol. IUPAC: S-phenyl 3-hydroxy-3,3-diphenylpropanethioate.
Chemical Property Profile of S-phenyl 3-hydroxy-3,3-diphenylpropanethioate
Property Insights of S-phenyl 3-hydroxy-3,3-diphenylpropanethioate
The XLogP value of 4.5 indicates that S-phenyl 3-hydroxy-3,3-diphenylpropanethioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.6 Ų falls within the moderate polarity range, balancing permeability and solubility for S-phenyl 3-hydroxy-3,3-diphenylpropanethioate. Following Lipinski's Rule of Five, S-phenyl 3-hydroxy-3,3-diphenylpropanethioate has 1 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-phenyl 3-hydroxy-3,3-diphenylpropanethioate?
The CAS number of S-phenyl 3-hydroxy-3,3-diphenylpropanethioate is 58058-61-0.
What is the molecular formula of S-phenyl 3-hydroxy-3,3-diphenylpropanethioate?
The molecular formula of S-phenyl 3-hydroxy-3,3-diphenylpropanethioate is C21H18O2S.
What is the molecular weight of S-phenyl 3-hydroxy-3,3-diphenylpropanethioate?
The molecular weight of S-phenyl 3-hydroxy-3,3-diphenylpropanethioate is 334.10 g/mol.
Where can I buy S-phenyl 3-hydroxy-3,3-diphenylpropanethioate?
You can request a quote for S-phenyl 3-hydroxy-3,3-diphenylpropanethioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for S-phenyl 3-hydroxy-3,3-diphenylpropanethioate?
Yes, KEHONG BIO provides custom synthesis services for S-phenyl 3-hydroxy-3,3-diphenylpropanethioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.