2-({4-Chloro-2-nitrophenyl}sulfanyl)cyclohexanone
TL;DR: 2-({4-Chloro-2-nitrophenyl}sulfanyl)cyclohexanone (CAS 100122-14-3) is a chemical compound with molecular formula C12H12ClNO3S and molecular weight 285.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-chloro-2-nitrophenyl)sulfanylcyclohexan-1-one
Also Known As: 2-({4-chloro-2-nitrophenyl}sulfanyl)cyclohexanone, 2-(4-chloro-2-nitrophenyl)sulfanylcyclohexan-1-one, AB-337/13036339
| Molecular Formula | C12H12ClNO3S |
|---|---|
| Molecular Weight | 285.02 g/mol |
| LogP | 3.852 |
| Topological Polar Surface Area | 60.21 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 285.02264 |
| Heavy Atoms | 18 |
| Complexity | 492.2109 |
Chemical Identifiers
| CAS Number | 100122-14-3 |
|---|---|
| SMILES | C1CCC(=O)C(C1)SC2=C(C=C(C=C2)Cl)[N+](=O)[O-] |
Product Overview
2-({4-Chloro-2-nitrophenyl}sulfanyl)cyclohexanone (CAS 100122-14-3), with molecular formula C12H12ClNO3S and molecular weight 285.02 g/mol. IUPAC: 2-(4-chloro-2-nitrophenyl)sulfanylcyclohexan-1-one.
Chemical Property Profile of 2-({4-Chloro-2-nitrophenyl}sulfanyl)cyclohexanone
Property Insights of 2-({4-Chloro-2-nitrophenyl}sulfanyl)cyclohexanone
The XLogP value of 3.852 indicates that 2-({4-Chloro-2-nitrophenyl}sulfanyl)cyclohexanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.21 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-({4-Chloro-2-nitrophenyl}sulfanyl)cyclohexanone. Following Lipinski's Rule of Five, 2-({4-Chloro-2-nitrophenyl}sulfanyl)cyclohexanone has 0 hydrogen bond donor(s) and 4 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-({4-Chloro-2-nitrophenyl}sulfanyl)cyclohexanone?
The CAS number of 2-({4-Chloro-2-nitrophenyl}sulfanyl)cyclohexanone is 100122-14-3.
What is the molecular formula of 2-({4-Chloro-2-nitrophenyl}sulfanyl)cyclohexanone?
The molecular formula of 2-({4-Chloro-2-nitrophenyl}sulfanyl)cyclohexanone is C12H12ClNO3S.
What is the molecular weight of 2-({4-Chloro-2-nitrophenyl}sulfanyl)cyclohexanone?
The molecular weight of 2-({4-Chloro-2-nitrophenyl}sulfanyl)cyclohexanone is 285.02 g/mol.
Where can I buy 2-({4-Chloro-2-nitrophenyl}sulfanyl)cyclohexanone?
You can request a quote for 2-({4-Chloro-2-nitrophenyl}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-({4-Chloro-2-nitrophenyl}sulfanyl)cyclohexanone?
Yes, KEHONG BIO provides custom synthesis services for 2-({4-Chloro-2-nitrophenyl}sulfanyl)cyclohexanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.