2-Chloro-4,5-dimethoxy-1,3-dinitrobenzene
TL;DR: 2-Chloro-4,5-dimethoxy-1,3-dinitrobenzene (CAS 117882-38-9) is a chemical compound with molecular formula C8H7ClN2O6 and molecular weight 262.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chloro-1,2-dimethoxy-3,5-dinitrobenzene
Also Known As: 2-chloro-4,5-dimethoxy-1,3-dinitrobenzene, 4-chloro-1,2-dimethoxy-3,5-dinitrobenzene, 4-chloro-1,2-dimethoxy-3,5-dinitro-benzene, 2X-0202
| Molecular Formula | C8H7ClN2O6 |
|---|---|
| Molecular Weight | 262.00 g/mol |
| LogP | 2.1736 |
| Topological Polar Surface Area | 104.74 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 261.99927 |
| Heavy Atoms | 17 |
| Complexity | 489.394 |
Chemical Identifiers
| CAS Number | 117882-38-9 |
|---|---|
| SMILES | COC1=C(C(=C(C(=C1)[N+](=O)[O-])Cl)[N+](=O)[O-])OC |
Product Overview
2-Chloro-4,5-dimethoxy-1,3-dinitrobenzene (CAS 117882-38-9), with molecular formula C8H7ClN2O6 and molecular weight 262.00 g/mol. IUPAC: 4-chloro-1,2-dimethoxy-3,5-dinitrobenzene.
Chemical Property Profile of 2-Chloro-4,5-dimethoxy-1,3-dinitrobenzene
Property Insights of 2-Chloro-4,5-dimethoxy-1,3-dinitrobenzene
The XLogP value of 2.1736 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Chloro-4,5-dimethoxy-1,3-dinitrobenzene. The TPSA of 104.74 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Chloro-4,5-dimethoxy-1,3-dinitrobenzene. Following Lipinski's Rule of Five, 2-Chloro-4,5-dimethoxy-1,3-dinitrobenzene has 0 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-Chloro-4,5-dimethoxy-1,3-dinitrobenzene?
The CAS number of 2-Chloro-4,5-dimethoxy-1,3-dinitrobenzene is 117882-38-9.
What is the molecular formula of 2-Chloro-4,5-dimethoxy-1,3-dinitrobenzene?
The molecular formula of 2-Chloro-4,5-dimethoxy-1,3-dinitrobenzene is C8H7ClN2O6.
What is the molecular weight of 2-Chloro-4,5-dimethoxy-1,3-dinitrobenzene?
The molecular weight of 2-Chloro-4,5-dimethoxy-1,3-dinitrobenzene is 262.00 g/mol.
Where can I buy 2-Chloro-4,5-dimethoxy-1,3-dinitrobenzene?
You can request a quote for 2-Chloro-4,5-dimethoxy-1,3-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-4,5-dimethoxy-1,3-dinitrobenzene?
Yes, KEHONG BIO provides custom synthesis services for 2-Chloro-4,5-dimethoxy-1,3-dinitrobenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.