3-Hydroxy-5,5-dimethyl-2-(phenylthio)cyclohex-2-en-1-one
TL;DR: 3-Hydroxy-5,5-dimethyl-2-(phenylthio)cyclohex-2-en-1-one (CAS 61908-09-6) is a chemical compound with molecular formula C14H16O2S and molecular weight 248.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-hydroxy-5,5-dimethyl-2-phenylsulfanylcyclohex-2-en-1-one
Also Known As: Maybridge3_005569, IDI1_016956, 3-hydroxy-5,5-dimethyl-2-(phenylthio)cyclohex-2-en-1-one, 3-hydroxy-5,5-dimethyl-2-phenylsulfanylcyclohex-2-en-1-one, 2-Cyclohexen-1-one, 3-hydroxy-5,5-dimethyl-2-(phenylthio)-
| Molecular Formula | C14H16O2S |
|---|---|
| Molecular Weight | 248.09 g/mol |
| LogP | 3.9374 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 248.0871 |
| Heavy Atoms | 17 |
| Complexity | 460.37036 |
Chemical Identifiers
| CAS Number | 61908-09-6 |
|---|---|
| SMILES | CC1(CC(=C(C(=O)C1)SC2=CC=CC=C2)O)C |
Product Overview
3-Hydroxy-5,5-dimethyl-2-(phenylthio)cyclohex-2-en-1-one (CAS 61908-09-6), with molecular formula C14H16O2S and molecular weight 248.09 g/mol. IUPAC: 3-hydroxy-5,5-dimethyl-2-phenylsulfanylcyclohex-2-en-1-one.
Chemical Property Profile of 3-Hydroxy-5,5-dimethyl-2-(phenylthio)cyclohex-2-en-1-one
Property Insights of 3-Hydroxy-5,5-dimethyl-2-(phenylthio)cyclohex-2-en-1-one
The XLogP value of 3.9374 indicates that 3-Hydroxy-5,5-dimethyl-2-(phenylthio)cyclohex-2-en-1-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.3 Ų, 3-Hydroxy-5,5-dimethyl-2-(phenylthio)cyclohex-2-en-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Hydroxy-5,5-dimethyl-2-(phenylthio)cyclohex-2-en-1-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 3-Hydroxy-5,5-dimethyl-2-(phenylthio)cyclohex-2-en-1-one?
The CAS number of 3-Hydroxy-5,5-dimethyl-2-(phenylthio)cyclohex-2-en-1-one is 61908-09-6.
What is the molecular formula of 3-Hydroxy-5,5-dimethyl-2-(phenylthio)cyclohex-2-en-1-one?
The molecular formula of 3-Hydroxy-5,5-dimethyl-2-(phenylthio)cyclohex-2-en-1-one is C14H16O2S.
What is the molecular weight of 3-Hydroxy-5,5-dimethyl-2-(phenylthio)cyclohex-2-en-1-one?
The molecular weight of 3-Hydroxy-5,5-dimethyl-2-(phenylthio)cyclohex-2-en-1-one is 248.09 g/mol.
Where can I buy 3-Hydroxy-5,5-dimethyl-2-(phenylthio)cyclohex-2-en-1-one?
You can request a quote for 3-Hydroxy-5,5-dimethyl-2-(phenylthio)cyclohex-2-en-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Hydroxy-5,5-dimethyl-2-(phenylthio)cyclohex-2-en-1-one?
Yes, KEHONG BIO provides custom synthesis services for 3-Hydroxy-5,5-dimethyl-2-(phenylthio)cyclohex-2-en-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.