2-Chloro-1-(2,4-dinitrobenzyl)-3,5-dinitrobenzene
TL;DR: 2-Chloro-1-(2,4-dinitrobenzyl)-3,5-dinitrobenzene (CAS 198992-92-6) is a chemical compound with molecular formula C13H7ClN4O8 and molecular weight 382.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-1-[(2,4-dinitrophenyl)methyl]-3,5-dinitrobenzene
Also Known As: 2,4-dinitro-6-(2,4-dinitrobenzyl)chlorobenzene, 2-chloro-1-(2,4-dinitrobenzyl)-3,5-dinitrobenzene, 2-chloro-1-[(2,4-dinitrophenyl)methyl]-3,5-dinitro-benzene, 2-chloro-1-[(2,4-dinitrophenyl)methyl]-3,5-dinitrobenzene
| Molecular Formula | C13H7ClN4O8 |
|---|---|
| Molecular Weight | 382.00 g/mol |
| LogP | 3.5636 |
| Topological Polar Surface Area | 172.56 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 381.99524 |
| Heavy Atoms | 26 |
| Complexity | 961.40045 |
Chemical Identifiers
| CAS Number | 198992-92-6 |
|---|---|
| SMILES | C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])CC2=C(C(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-])Cl |
Product Overview
2-Chloro-1-(2,4-dinitrobenzyl)-3,5-dinitrobenzene (CAS 198992-92-6), with molecular formula C13H7ClN4O8 and molecular weight 382.00 g/mol. IUPAC: 2-chloro-1-[(2,4-dinitrophenyl)methyl]-3,5-dinitrobenzene.
Chemical Property Profile of 2-Chloro-1-(2,4-dinitrobenzyl)-3,5-dinitrobenzene
Property Insights of 2-Chloro-1-(2,4-dinitrobenzyl)-3,5-dinitrobenzene
The XLogP value of 3.5636 indicates that 2-Chloro-1-(2,4-dinitrobenzyl)-3,5-dinitrobenzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 172.56 Ų indicates high polarity, suggesting 2-Chloro-1-(2,4-dinitrobenzyl)-3,5-dinitrobenzene may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2-Chloro-1-(2,4-dinitrobenzyl)-3,5-dinitrobenzene has 0 hydrogen bond donor(s) and 8 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-Chloro-1-(2,4-dinitrobenzyl)-3,5-dinitrobenzene?
The CAS number of 2-Chloro-1-(2,4-dinitrobenzyl)-3,5-dinitrobenzene is 198992-92-6.
What is the molecular formula of 2-Chloro-1-(2,4-dinitrobenzyl)-3,5-dinitrobenzene?
The molecular formula of 2-Chloro-1-(2,4-dinitrobenzyl)-3,5-dinitrobenzene is C13H7ClN4O8.
What is the molecular weight of 2-Chloro-1-(2,4-dinitrobenzyl)-3,5-dinitrobenzene?
The molecular weight of 2-Chloro-1-(2,4-dinitrobenzyl)-3,5-dinitrobenzene is 382.00 g/mol.
Where can I buy 2-Chloro-1-(2,4-dinitrobenzyl)-3,5-dinitrobenzene?
You can request a quote for 2-Chloro-1-(2,4-dinitrobenzyl)-3,5-dinitrobenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Chloro-1-(2,4-dinitrobenzyl)-3,5-dinitrobenzene?
Yes, KEHONG BIO provides custom synthesis services for 2-Chloro-1-(2,4-dinitrobenzyl)-3,5-dinitrobenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.