Benzene, 1,3-dichloro-4,6-dimethyl-2,5-dinitro-
TL;DR: Benzene, 1,3-dichloro-4,6-dimethyl-2,5-dinitro- (CAS 40200-67-7) is a chemical compound with molecular formula C8H6Cl2N2O4 and molecular weight 263.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,5-dichloro-2,4-dimethyl-3,6-dinitrobenzene
Also Known As: Benzene, 1,3-dichloro-4,6-dimethyl-2,5-dinitro-, 1,5-dichloro-2,4-dimethyl-3,6-dinitrobenzene, Benzene,1,3-dichloro-4,6-dimethyl-2,5-dinitro-, 1,3-Dichloro-4,6-dimethyl-2,5-dinitrobenzene
| Molecular Formula | C8H6Cl2N2O4 |
|---|---|
| Molecular Weight | 263.97 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 91.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 263.97046 |
| Heavy Atoms | 16 |
| Complexity | 287.0 |
Chemical Identifiers
| CAS Number | 40200-67-7 |
|---|---|
| SMILES | CC1=C(C(=C(C(=C1Cl)[N+](=O)[O-])Cl)C)[N+](=O)[O-] |
| InChIKey | VCRUIHGHNOCOTG-UHFFFAOYSA-N |
Product Overview
Benzene, 1,3-dichloro-4,6-dimethyl-2,5-dinitro- (CAS 40200-67-7), with molecular formula C8H6Cl2N2O4 and molecular weight 263.97 g/mol. IUPAC: 1,5-dichloro-2,4-dimethyl-3,6-dinitrobenzene.
Chemical Property Profile of Benzene, 1,3-dichloro-4,6-dimethyl-2,5-dinitro-
Property Insights of Benzene, 1,3-dichloro-4,6-dimethyl-2,5-dinitro-
The XLogP value of 3.6 indicates that Benzene, 1,3-dichloro-4,6-dimethyl-2,5-dinitro- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 91.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzene, 1,3-dichloro-4,6-dimethyl-2,5-dinitro-. Following Lipinski's Rule of Five, Benzene, 1,3-dichloro-4,6-dimethyl-2,5-dinitro- has 0 hydrogen bond donor(s) and 4 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 Benzene, 1,3-dichloro-4,6-dimethyl-2,5-dinitro-?
The CAS number of Benzene, 1,3-dichloro-4,6-dimethyl-2,5-dinitro- is 40200-67-7.
What is the molecular formula of Benzene, 1,3-dichloro-4,6-dimethyl-2,5-dinitro-?
The molecular formula of Benzene, 1,3-dichloro-4,6-dimethyl-2,5-dinitro- is C8H6Cl2N2O4.
What is the molecular weight of Benzene, 1,3-dichloro-4,6-dimethyl-2,5-dinitro-?
The molecular weight of Benzene, 1,3-dichloro-4,6-dimethyl-2,5-dinitro- is 263.97 g/mol.
Where can I buy Benzene, 1,3-dichloro-4,6-dimethyl-2,5-dinitro-?
You can request a quote for Benzene, 1,3-dichloro-4,6-dimethyl-2,5-dinitro- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzene, 1,3-dichloro-4,6-dimethyl-2,5-dinitro-?
Yes, KEHONG BIO provides custom synthesis services for Benzene, 1,3-dichloro-4,6-dimethyl-2,5-dinitro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.