2-(2-Nitrophenyl)sulfanylcyclohexane-1,3-dione
TL;DR: 2-(2-Nitrophenyl)sulfanylcyclohexane-1,3-dione (CAS 39853-50-4) is a chemical compound with molecular formula C12H11NO4S and molecular weight 265.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-nitrophenyl)sulfanylcyclohexane-1,3-dione
Also Known As: 2-(2-nitro-phenylsulfanyl)-cyclohexane-1,3-dione
| Molecular Formula | C12H11NO4S |
|---|---|
| Molecular Weight | 265.04 g/mol |
| LogP | 2.3776 |
| Topological Polar Surface Area | 77.28 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 265.0409 |
| Heavy Atoms | 18 |
| Complexity | 498.5538 |
Chemical Identifiers
| CAS Number | 39853-50-4 |
|---|---|
| SMILES | C1CC(=O)C(C(=O)C1)SC2=CC=CC=C2[N+](=O)[O-] |
Product Overview
2-(2-Nitrophenyl)sulfanylcyclohexane-1,3-dione (CAS 39853-50-4), with molecular formula C12H11NO4S and molecular weight 265.04 g/mol. IUPAC: 2-(2-nitrophenyl)sulfanylcyclohexane-1,3-dione.
Chemical Property Profile of 2-(2-Nitrophenyl)sulfanylcyclohexane-1,3-dione
Property Insights of 2-(2-Nitrophenyl)sulfanylcyclohexane-1,3-dione
The XLogP value of 2.3776 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(2-Nitrophenyl)sulfanylcyclohexane-1,3-dione. The TPSA of 77.28 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(2-Nitrophenyl)sulfanylcyclohexane-1,3-dione. Following Lipinski's Rule of Five, 2-(2-Nitrophenyl)sulfanylcyclohexane-1,3-dione has 0 hydrogen bond donor(s) and 5 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-Nitrophenyl)sulfanylcyclohexane-1,3-dione?
The CAS number of 2-(2-Nitrophenyl)sulfanylcyclohexane-1,3-dione is 39853-50-4.
What is the molecular formula of 2-(2-Nitrophenyl)sulfanylcyclohexane-1,3-dione?
The molecular formula of 2-(2-Nitrophenyl)sulfanylcyclohexane-1,3-dione is C12H11NO4S.
What is the molecular weight of 2-(2-Nitrophenyl)sulfanylcyclohexane-1,3-dione?
The molecular weight of 2-(2-Nitrophenyl)sulfanylcyclohexane-1,3-dione is 265.04 g/mol.
Where can I buy 2-(2-Nitrophenyl)sulfanylcyclohexane-1,3-dione?
You can request a quote for 2-(2-Nitrophenyl)sulfanylcyclohexane-1,3-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(2-Nitrophenyl)sulfanylcyclohexane-1,3-dione?
Yes, KEHONG BIO provides custom synthesis services for 2-(2-Nitrophenyl)sulfanylcyclohexane-1,3-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.