![2-{[2-Nitro-4-(trifluoromethyl)phenyl]sulfanyl}cyclohexanone structure](/static/products/343/343348-44-7.png)
2-{[2-Nitro-4-(trifluoromethyl)phenyl]sulfanyl}cyclohexanone
TL;DR: 2-{[2-Nitro-4-(trifluoromethyl)phenyl]sulfanyl}cyclohexanone (CAS 343348-44-7) is a chemical compound with molecular formula C13H12F3NO3S and molecular weight 319.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanylcyclohexan-1-one
Also Known As: 2-{[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl}cyclohexanone, AB-337/13036332, 2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanylcyclohexan-1-one
| Molecular Formula | C13H12F3NO3S |
|---|---|
| Molecular Weight | 319.05 g/mol |
| LogP | 4.2174 |
| Topological Polar Surface Area | 60.21 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 319.049 |
| Heavy Atoms | 21 |
| Complexity | 574.2702 |
Chemical Identifiers
| CAS Number | 343348-44-7 |
|---|---|
| SMILES | C1CCC(=O)C(C1)SC2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-] |
Product Overview
2-{[2-Nitro-4-(trifluoromethyl)phenyl]sulfanyl}cyclohexanone (CAS 343348-44-7), with molecular formula C13H12F3NO3S and molecular weight 319.05 g/mol. IUPAC: 2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanylcyclohexan-1-one.
Chemical Property Profile of 2-{[2-Nitro-4-(trifluoromethyl)phenyl]sulfanyl}cyclohexanone
Property Insights of 2-{[2-Nitro-4-(trifluoromethyl)phenyl]sulfanyl}cyclohexanone
The XLogP value of 4.2174 indicates that 2-{[2-Nitro-4-(trifluoromethyl)phenyl]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-{[2-Nitro-4-(trifluoromethyl)phenyl]sulfanyl}cyclohexanone. Following Lipinski's Rule of Five, 2-{[2-Nitro-4-(trifluoromethyl)phenyl]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-{[2-Nitro-4-(trifluoromethyl)phenyl]sulfanyl}cyclohexanone?
The CAS number of 2-{[2-Nitro-4-(trifluoromethyl)phenyl]sulfanyl}cyclohexanone is 343348-44-7.
What is the molecular formula of 2-{[2-Nitro-4-(trifluoromethyl)phenyl]sulfanyl}cyclohexanone?
The molecular formula of 2-{[2-Nitro-4-(trifluoromethyl)phenyl]sulfanyl}cyclohexanone is C13H12F3NO3S.
What is the molecular weight of 2-{[2-Nitro-4-(trifluoromethyl)phenyl]sulfanyl}cyclohexanone?
The molecular weight of 2-{[2-Nitro-4-(trifluoromethyl)phenyl]sulfanyl}cyclohexanone is 319.05 g/mol.
Where can I buy 2-{[2-Nitro-4-(trifluoromethyl)phenyl]sulfanyl}cyclohexanone?
You can request a quote for 2-{[2-Nitro-4-(trifluoromethyl)phenyl]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-Nitro-4-(trifluoromethyl)phenyl]sulfanyl}cyclohexanone?
Yes, KEHONG BIO provides custom synthesis services for 2-{[2-Nitro-4-(trifluoromethyl)phenyl]sulfanyl}cyclohexanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.