![Trans-2-[(2-Nitrophenyl)sulfanyl]-5-Phenylcyclohexane-1,3-Dione structure](/static/products/398/39853-54-8.png)
Trans-2-[(2-Nitrophenyl)sulfanyl]-5-Phenylcyclohexane-1,3-Dione
TL;DR: Trans-2-[(2-Nitrophenyl)sulfanyl]-5-Phenylcyclohexane-1,3-Dione (CAS 39853-54-8) is a chemical compound with molecular formula C18H15NO4S and molecular weight 341.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-nitrophenyl)sulfanyl-5-phenylcyclohexane-1,3-dione
Also Known As: AH-262/31834029, Trans-2-[(2-Nitrophenyl)sulfanyl]-5-Phenylcyclohexane-1,3-Dione, 2-(2-nitrophenyl)sulfanyl-5-phenylcyclohexane-1,3-dione, 2-({2-nitrophenyl}sulfanyl)-5-phenyl-1,3-cyclohexanedione, 36V
| Molecular Formula | C18H15NO4S |
|---|---|
| Molecular Weight | 341.07 g/mol |
| LogP | 3.7713 |
| Topological Polar Surface Area | 77.28 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 341.07217 |
| Heavy Atoms | 24 |
| Complexity | 772.6156 |
Chemical Identifiers
| CAS Number | 39853-54-8 |
|---|---|
| SMILES | C1C(CC(=O)C(C1=O)SC2=CC=CC=C2[N+](=O)[O-])C3=CC=CC=C3 |
Product Overview
Trans-2-[(2-Nitrophenyl)sulfanyl]-5-Phenylcyclohexane-1,3-Dione (CAS 39853-54-8), with molecular formula C18H15NO4S and molecular weight 341.07 g/mol. IUPAC: 2-(2-nitrophenyl)sulfanyl-5-phenylcyclohexane-1,3-dione.
Chemical Property Profile of Trans-2-[(2-Nitrophenyl)sulfanyl]-5-Phenylcyclohexane-1,3-Dione
Property Insights of Trans-2-[(2-Nitrophenyl)sulfanyl]-5-Phenylcyclohexane-1,3-Dione
The XLogP value of 3.7713 indicates that Trans-2-[(2-Nitrophenyl)sulfanyl]-5-Phenylcyclohexane-1,3-Dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.28 Ų falls within the moderate polarity range, balancing permeability and solubility for Trans-2-[(2-Nitrophenyl)sulfanyl]-5-Phenylcyclohexane-1,3-Dione. Following Lipinski's Rule of Five, Trans-2-[(2-Nitrophenyl)sulfanyl]-5-Phenylcyclohexane-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 Trans-2-[(2-Nitrophenyl)sulfanyl]-5-Phenylcyclohexane-1,3-Dione?
The CAS number of Trans-2-[(2-Nitrophenyl)sulfanyl]-5-Phenylcyclohexane-1,3-Dione is 39853-54-8.
What is the molecular formula of Trans-2-[(2-Nitrophenyl)sulfanyl]-5-Phenylcyclohexane-1,3-Dione?
The molecular formula of Trans-2-[(2-Nitrophenyl)sulfanyl]-5-Phenylcyclohexane-1,3-Dione is C18H15NO4S.
What is the molecular weight of Trans-2-[(2-Nitrophenyl)sulfanyl]-5-Phenylcyclohexane-1,3-Dione?
The molecular weight of Trans-2-[(2-Nitrophenyl)sulfanyl]-5-Phenylcyclohexane-1,3-Dione is 341.07 g/mol.
Where can I buy Trans-2-[(2-Nitrophenyl)sulfanyl]-5-Phenylcyclohexane-1,3-Dione?
You can request a quote for Trans-2-[(2-Nitrophenyl)sulfanyl]-5-Phenylcyclohexane-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 Trans-2-[(2-Nitrophenyl)sulfanyl]-5-Phenylcyclohexane-1,3-Dione?
Yes, KEHONG BIO provides custom synthesis services for Trans-2-[(2-Nitrophenyl)sulfanyl]-5-Phenylcyclohexane-1,3-Dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.