4-Hydroxy-4-phenylthian-2-one
TL;DR: 4-Hydroxy-4-phenylthian-2-one (CAS 71023-07-9) is a chemical compound with molecular formula C11H12O2S and molecular weight 208.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-hydroxy-4-phenylthian-2-one
Also Known As: 4-hydroxy-4-phenylthian-2-one, 2H-THIOPYRAN-2-ONE,TETRAHYDRO-4-HYDROXY-4-PHENYL-
| Molecular Formula | C11H12O2S |
|---|---|
| Molecular Weight | 208.06 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 62.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 208.0558 |
| Heavy Atoms | 14 |
| Complexity | 223.0 |
Chemical Identifiers
| CAS Number | 71023-07-9 |
|---|---|
| SMILES | C1CSC(=O)CC1(C2=CC=CC=C2)O |
| InChIKey | DLKOXSQXUQAKRV-UHFFFAOYSA-N |
Product Overview
4-Hydroxy-4-phenylthian-2-one (CAS 71023-07-9), with molecular formula C11H12O2S and molecular weight 208.06 g/mol. IUPAC: 4-hydroxy-4-phenylthian-2-one.
Chemical Property Profile of 4-Hydroxy-4-phenylthian-2-one
Property Insights of 4-Hydroxy-4-phenylthian-2-one
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Hydroxy-4-phenylthian-2-one. The TPSA of 62.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Hydroxy-4-phenylthian-2-one. Following Lipinski's Rule of Five, 4-Hydroxy-4-phenylthian-2-one 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 4-Hydroxy-4-phenylthian-2-one?
The CAS number of 4-Hydroxy-4-phenylthian-2-one is 71023-07-9.
What is the molecular formula of 4-Hydroxy-4-phenylthian-2-one?
The molecular formula of 4-Hydroxy-4-phenylthian-2-one is C11H12O2S.
What is the molecular weight of 4-Hydroxy-4-phenylthian-2-one?
The molecular weight of 4-Hydroxy-4-phenylthian-2-one is 208.06 g/mol.
Where can I buy 4-Hydroxy-4-phenylthian-2-one?
You can request a quote for 4-Hydroxy-4-phenylthian-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Hydroxy-4-phenylthian-2-one?
Yes, KEHONG BIO provides custom synthesis services for 4-Hydroxy-4-phenylthian-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.