![2-[(2,5-Dimethylphenyl)sulfanyl]cyclohexanone structure](/static/products/2133/21339-63-9.webp)
2-[(2,5-Dimethylphenyl)sulfanyl]cyclohexanone
TL;DR: 2-[(2,5-Dimethylphenyl)sulfanyl]cyclohexanone (CAS 21339-63-9) is a chemical compound with molecular formula C14H18OS and molecular weight 234.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2,5-dimethylphenyl)sulfanylcyclohexan-1-one
Also Known As: 2-[(2,5-dimethylphenyl)sulfanyl]cyclohexanone, Cyclohexanone,2-[(2,5-dimethylphenyl)thio]-, 2-(2,5-dimethylphenyl)sulfanylcyclohexan-1-one, 2-[(2,5-DIMETHYLPHENYL)SULFANYL]CYCLOHEXAN-1-ONE
| Molecular Formula | C14H18OS |
|---|---|
| Molecular Weight | 234.11 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 42.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 234.10783 |
| Heavy Atoms | 16 |
| Complexity | 251.0 |
Chemical Identifiers
| CAS Number | 21339-63-9 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)C)SC2CCCCC2=O |
| InChIKey | IBSBIAGIAJEYLX-UHFFFAOYSA-N |
Product Overview
2-[(2,5-Dimethylphenyl)sulfanyl]cyclohexanone (CAS 21339-63-9), with molecular formula C14H18OS and molecular weight 234.11 g/mol. IUPAC: 2-(2,5-dimethylphenyl)sulfanylcyclohexan-1-one.
Chemical Property Profile of 2-[(2,5-Dimethylphenyl)sulfanyl]cyclohexanone
Property Insights of 2-[(2,5-Dimethylphenyl)sulfanyl]cyclohexanone
The XLogP value of 3.8 indicates that 2-[(2,5-Dimethylphenyl)sulfanyl]cyclohexanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 42.4 Ų, 2-[(2,5-Dimethylphenyl)sulfanyl]cyclohexanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[(2,5-Dimethylphenyl)sulfanyl]cyclohexanone has 0 hydrogen bond donor(s) and 2 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 2-[(2,5-Dimethylphenyl)sulfanyl]cyclohexanone?
The CAS number of 2-[(2,5-Dimethylphenyl)sulfanyl]cyclohexanone is 21339-63-9.
What is the molecular formula of 2-[(2,5-Dimethylphenyl)sulfanyl]cyclohexanone?
The molecular formula of 2-[(2,5-Dimethylphenyl)sulfanyl]cyclohexanone is C14H18OS.
What is the molecular weight of 2-[(2,5-Dimethylphenyl)sulfanyl]cyclohexanone?
The molecular weight of 2-[(2,5-Dimethylphenyl)sulfanyl]cyclohexanone is 234.11 g/mol.
Where can I buy 2-[(2,5-Dimethylphenyl)sulfanyl]cyclohexanone?
You can request a quote for 2-[(2,5-Dimethylphenyl)sulfanyl]cyclohexanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(2,5-Dimethylphenyl)sulfanyl]cyclohexanone?
Yes, KEHONG BIO provides custom synthesis services for 2-[(2,5-Dimethylphenyl)sulfanyl]cyclohexanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.