2-氨基-5-硝基苯甲腈
TL;DR: 2-氨基-5-硝基苯甲腈 (CAS 17420-30-3) is a chemical compound with molecular formula C7H5N3O2 and molecular weight 163.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-氨基-5-硝基苯甲腈
2-amino-5-nitrobenzonitrile
Also Known As: 2-Amino-5-nitrobenzonitrile, 5-Nitroanthranilonitrile, 2-Cyano-4-nitroaniline, Benzonitrile, 2-amino-5-nitro-, 2-Kyan-4-nitroanilin
| Molecular Formula | C7H5N3O2 |
|---|---|
| Molecular Weight | 163.04 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 95.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 163.03818 |
| Heavy Atoms | 12 |
| Complexity | 227.0 |
Chemical Identifiers
| CAS Number | 17420-30-3 |
|---|---|
| SMILES | C1=CC(=C(C=C1[N+](=O)[O-])C#N)N |
| InChIKey | MGCGMYPNXAFGFA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 19 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-氨基-5-硝基苯甲腈 (CAS 17420-30-3), with molecular formula C7H5N3O2 and molecular weight 163.04 g/mol. IUPAC: 2-amino-5-nitrobenzonitrile.
Chemical Property Profile of 2-氨基-5-硝基苯甲腈
Property Insights of 2-氨基-5-硝基苯甲腈
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-氨基-5-硝基苯甲腈. The TPSA of 95.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-氨基-5-硝基苯甲腈. Following Lipinski's Rule of Five, 2-氨基-5-硝基苯甲腈 has 1 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 2-氨基-5-硝基苯甲腈?
The CAS number of 2-氨基-5-硝基苯甲腈 is 17420-30-3.
What is the molecular formula of 2-氨基-5-硝基苯甲腈?
The molecular formula of 2-氨基-5-硝基苯甲腈 is C7H5N3O2.
What is the molecular weight of 2-氨基-5-硝基苯甲腈?
The molecular weight of 2-氨基-5-硝基苯甲腈 is 163.04 g/mol.
Where can I buy 2-氨基-5-硝基苯甲腈?
You can request a quote for 2-氨基-5-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-5-硝基苯甲腈?
Yes, KEHONG BIO provides custom synthesis services for 2-氨基-5-硝基苯甲腈 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.