2-氨基-3,5-二硝基苯甲腈
TL;DR: 2-氨基-3,5-二硝基苯甲腈 (CAS 22603-53-8) is a chemical compound with molecular formula C7H4N4O4 and molecular weight 208.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-氨基-3,5-二硝基苯甲腈
2-amino-3,5-dinitrobenzonitrile
Also Known As: 2-Amino-3,5-dinitrobenzonitrile, 2-Cyano-4,6-dinitroaniline, Benzonitrile,5-dinitro-, Benzonitrile, 2-amino-3,5-dinitro-, 2,4-DINITRO-6-CYANOANILINE
| Molecular Formula | C7H4N4O4 |
|---|---|
| Molecular Weight | 208.02 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 141.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 0 |
| Exact Mass | 208.02325 |
| Heavy Atoms | 15 |
| Complexity | 324.0 |
Chemical Identifiers
| CAS Number | 22603-53-8 |
|---|---|
| SMILES | C1=C(C=C(C(=C1C#N)N)[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | RIYSFSQPHCAGLS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-氨基-3,5-二硝基苯甲腈 (CAS 22603-53-8), with molecular formula C7H4N4O4 and molecular weight 208.02 g/mol. IUPAC: 2-amino-3,5-dinitrobenzonitrile.
Chemical Property Profile of 2-氨基-3,5-二硝基苯甲腈
Property Insights of 2-氨基-3,5-二硝基苯甲腈
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-氨基-3,5-二硝基苯甲腈. The TPSA of 141.0 Ų indicates high polarity, suggesting 2-氨基-3,5-二硝基苯甲腈 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2-氨基-3,5-二硝基苯甲腈 has 1 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-氨基-3,5-二硝基苯甲腈?
The CAS number of 2-氨基-3,5-二硝基苯甲腈 is 22603-53-8.
What is the molecular formula of 2-氨基-3,5-二硝基苯甲腈?
The molecular formula of 2-氨基-3,5-二硝基苯甲腈 is C7H4N4O4.
What is the molecular weight of 2-氨基-3,5-二硝基苯甲腈?
The molecular weight of 2-氨基-3,5-二硝基苯甲腈 is 208.02 g/mol.
Where can I buy 2-氨基-3,5-二硝基苯甲腈?
You can request a quote for 2-氨基-3,5-二硝基苯甲腈 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-氨基-3,5-二硝基苯甲腈?
Yes, KEHONG BIO provides custom synthesis services for 2-氨基-3,5-二硝基苯甲腈 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.