2-(Benzylsulfanyl)-4,6-dinitrobenzamide
TL;DR: 2-(Benzylsulfanyl)-4,6-dinitrobenzamide (CAS 292163-55-4) is a chemical compound with molecular formula C14H11N3O5S and molecular weight 333.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-benzylsulfanyl-4,6-dinitrobenzamide
Also Known As: 2-(benzylsulfanyl)-4,6-dinitrobenzamide, 2-benzylsulfanyl-4,6-dinitrobenzamide, 2,4-Dinitro-6-(benzylthio)benzamide, 2-(Benzylthio)-4,6-dinitrobenzamide, 2,4-dinitro-6-(phenylmethylthio)benzamide
| Molecular Formula | C14H11N3O5S |
|---|---|
| Molecular Weight | 333.04 g/mol |
| LogP | 2.8942 |
| Topological Polar Surface Area | 129.37 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 333.04193 |
| Heavy Atoms | 23 |
| Complexity | 779.48224 |
Chemical Identifiers
| CAS Number | 292163-55-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)CSC2=CC(=CC(=C2C(=O)N)[N+](=O)[O-])[N+](=O)[O-] |
Product Overview
2-(Benzylsulfanyl)-4,6-dinitrobenzamide (CAS 292163-55-4), with molecular formula C14H11N3O5S and molecular weight 333.04 g/mol. IUPAC: 2-benzylsulfanyl-4,6-dinitrobenzamide.
Chemical Property Profile of 2-(Benzylsulfanyl)-4,6-dinitrobenzamide
Property Insights of 2-(Benzylsulfanyl)-4,6-dinitrobenzamide
The XLogP value of 2.8942 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(Benzylsulfanyl)-4,6-dinitrobenzamide. The TPSA of 129.37 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(Benzylsulfanyl)-4,6-dinitrobenzamide. Following Lipinski's Rule of Five, 2-(Benzylsulfanyl)-4,6-dinitrobenzamide has 1 hydrogen bond donor(s) and 6 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-(Benzylsulfanyl)-4,6-dinitrobenzamide?
The CAS number of 2-(Benzylsulfanyl)-4,6-dinitrobenzamide is 292163-55-4.
What is the molecular formula of 2-(Benzylsulfanyl)-4,6-dinitrobenzamide?
The molecular formula of 2-(Benzylsulfanyl)-4,6-dinitrobenzamide is C14H11N3O5S.
What is the molecular weight of 2-(Benzylsulfanyl)-4,6-dinitrobenzamide?
The molecular weight of 2-(Benzylsulfanyl)-4,6-dinitrobenzamide is 333.04 g/mol.
Where can I buy 2-(Benzylsulfanyl)-4,6-dinitrobenzamide?
You can request a quote for 2-(Benzylsulfanyl)-4,6-dinitrobenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Benzylsulfanyl)-4,6-dinitrobenzamide?
Yes, KEHONG BIO provides custom synthesis services for 2-(Benzylsulfanyl)-4,6-dinitrobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.