1,3-Benzenedicarbonitrile, 4,6-dinitro-
TL;DR: 1,3-Benzenedicarbonitrile, 4,6-dinitro- (CAS 67640-46-4) is a chemical compound with molecular formula C8H2N4O4 and molecular weight 218.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,6-dinitrobenzene-1,3-dicarbonitrile
Also Known As: 4,6-dinitrobenzene-1,3-dicarbonitrile, 1,3-Benzenedicarbonitrile, 4,6-dinitro-, RefChem:217728
| Molecular Formula | C8H2N4O4 |
|---|---|
| Molecular Weight | 218.01 g/mol |
| LogP | 1.24636 |
| Topological Polar Surface Area | 133.86 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 218.0076 |
| Heavy Atoms | 16 |
| Complexity | 519.37665 |
Chemical Identifiers
| CAS Number | 67640-46-4 |
|---|---|
| SMILES | C1=C(C(=CC(=C1C#N)[N+](=O)[O-])[N+](=O)[O-])C#N |
Product Overview
1,3-Benzenedicarbonitrile, 4,6-dinitro- (CAS 67640-46-4), with molecular formula C8H2N4O4 and molecular weight 218.01 g/mol. IUPAC: 4,6-dinitrobenzene-1,3-dicarbonitrile.
Chemical Property Profile of 1,3-Benzenedicarbonitrile, 4,6-dinitro-
Property Insights of 1,3-Benzenedicarbonitrile, 4,6-dinitro-
The XLogP value of 1.24636 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Benzenedicarbonitrile, 4,6-dinitro-. The TPSA of 133.86 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-Benzenedicarbonitrile, 4,6-dinitro-. Following Lipinski's Rule of Five, 1,3-Benzenedicarbonitrile, 4,6-dinitro- 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 1,3-Benzenedicarbonitrile, 4,6-dinitro-?
The CAS number of 1,3-Benzenedicarbonitrile, 4,6-dinitro- is 67640-46-4.
What is the molecular formula of 1,3-Benzenedicarbonitrile, 4,6-dinitro-?
The molecular formula of 1,3-Benzenedicarbonitrile, 4,6-dinitro- is C8H2N4O4.
What is the molecular weight of 1,3-Benzenedicarbonitrile, 4,6-dinitro-?
The molecular weight of 1,3-Benzenedicarbonitrile, 4,6-dinitro- is 218.01 g/mol.
Where can I buy 1,3-Benzenedicarbonitrile, 4,6-dinitro-?
You can request a quote for 1,3-Benzenedicarbonitrile, 4,6-dinitro- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Benzenedicarbonitrile, 4,6-dinitro-?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Benzenedicarbonitrile, 4,6-dinitro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.