1,4-Dichloro-2,5-bis(2-nitroethenyl)benzene
TL;DR: 1,4-Dichloro-2,5-bis(2-nitroethenyl)benzene (CAS 90876-90-7) is a chemical compound with molecular formula C10H6Cl2N2O4 and molecular weight 287.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,4-dichloro-2,5-bis(2-nitroethenyl)benzene
Also Known As: NCI60_003136, 1,4-dichloro-2,5-bis(2-nitroethenyl)benzene, 1,4-Dichloro-2,5-bis[(E)-2-nitroethenyl]benzene
| Molecular Formula | C10H6Cl2N2O4 |
|---|---|
| Molecular Weight | 287.97 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 91.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 287.97046 |
| Heavy Atoms | 18 |
| Complexity | 339.0 |
Chemical Identifiers
| CAS Number | 90876-90-7 |
|---|---|
| SMILES | C1=C(C(=CC(=C1Cl)C=C[N+](=O)[O-])Cl)C=C[N+](=O)[O-] |
| InChIKey | DFJKZFPZBIIMAS-UHFFFAOYSA-N |
Product Overview
1,4-Dichloro-2,5-bis(2-nitroethenyl)benzene (CAS 90876-90-7), with molecular formula C10H6Cl2N2O4 and molecular weight 287.97 g/mol. IUPAC: 1,4-dichloro-2,5-bis(2-nitroethenyl)benzene.
Chemical Property Profile of 1,4-Dichloro-2,5-bis(2-nitroethenyl)benzene
Property Insights of 1,4-Dichloro-2,5-bis(2-nitroethenyl)benzene
The XLogP value of 3.7 indicates that 1,4-Dichloro-2,5-bis(2-nitroethenyl)benzene 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 1,4-Dichloro-2,5-bis(2-nitroethenyl)benzene. Following Lipinski's Rule of Five, 1,4-Dichloro-2,5-bis(2-nitroethenyl)benzene 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 1,4-Dichloro-2,5-bis(2-nitroethenyl)benzene?
The CAS number of 1,4-Dichloro-2,5-bis(2-nitroethenyl)benzene is 90876-90-7.
What is the molecular formula of 1,4-Dichloro-2,5-bis(2-nitroethenyl)benzene?
The molecular formula of 1,4-Dichloro-2,5-bis(2-nitroethenyl)benzene is C10H6Cl2N2O4.
What is the molecular weight of 1,4-Dichloro-2,5-bis(2-nitroethenyl)benzene?
The molecular weight of 1,4-Dichloro-2,5-bis(2-nitroethenyl)benzene is 287.97 g/mol.
Where can I buy 1,4-Dichloro-2,5-bis(2-nitroethenyl)benzene?
You can request a quote for 1,4-Dichloro-2,5-bis(2-nitroethenyl)benzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,4-Dichloro-2,5-bis(2-nitroethenyl)benzene?
Yes, KEHONG BIO provides custom synthesis services for 1,4-Dichloro-2,5-bis(2-nitroethenyl)benzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.