S-tert-butyl 3-hydroxy-3,3-diphenylpropanethioate
TL;DR: S-tert-butyl 3-hydroxy-3,3-diphenylpropanethioate (CAS 58058-57-4) is a chemical compound with molecular formula C19H22O2S and molecular weight 314.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-tert-butyl 3-hydroxy-3,3-diphenylpropanethioate
Also Known As: S-tert-butyl 3-hydroxy-3,3-diphenylpropanethioate, 3-Hydroxy-3,3-diphenyl-1-tert-butylsulfanyl-propan-1-one, RefChem:379617
| Molecular Formula | C19H22O2S |
|---|---|
| Molecular Weight | 314.13 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 62.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 314.13406 |
| Heavy Atoms | 22 |
| Complexity | 342.0 |
Chemical Identifiers
| CAS Number | 58058-57-4 |
|---|---|
| SMILES | CC(C)(C)SC(=O)CC(C1=CC=CC=C1)(C2=CC=CC=C2)O |
| InChIKey | NOJQMMZPMMIOBT-UHFFFAOYSA-N |
Product Overview
S-tert-butyl 3-hydroxy-3,3-diphenylpropanethioate (CAS 58058-57-4), with molecular formula C19H22O2S and molecular weight 314.13 g/mol. IUPAC: S-tert-butyl 3-hydroxy-3,3-diphenylpropanethioate.
Chemical Property Profile of S-tert-butyl 3-hydroxy-3,3-diphenylpropanethioate
Property Insights of S-tert-butyl 3-hydroxy-3,3-diphenylpropanethioate
The XLogP value of 3.9 indicates that S-tert-butyl 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-tert-butyl 3-hydroxy-3,3-diphenylpropanethioate. Following Lipinski's Rule of Five, S-tert-butyl 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-tert-butyl 3-hydroxy-3,3-diphenylpropanethioate?
The CAS number of S-tert-butyl 3-hydroxy-3,3-diphenylpropanethioate is 58058-57-4.
What is the molecular formula of S-tert-butyl 3-hydroxy-3,3-diphenylpropanethioate?
The molecular formula of S-tert-butyl 3-hydroxy-3,3-diphenylpropanethioate is C19H22O2S.
What is the molecular weight of S-tert-butyl 3-hydroxy-3,3-diphenylpropanethioate?
The molecular weight of S-tert-butyl 3-hydroxy-3,3-diphenylpropanethioate is 314.13 g/mol.
Where can I buy S-tert-butyl 3-hydroxy-3,3-diphenylpropanethioate?
You can request a quote for S-tert-butyl 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-tert-butyl 3-hydroxy-3,3-diphenylpropanethioate?
Yes, KEHONG BIO provides custom synthesis services for S-tert-butyl 3-hydroxy-3,3-diphenylpropanethioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.