4-Amino-5-nitrophthalonitrile
TL;DR: 4-Amino-5-nitrophthalonitrile (CAS 79319-38-3) is a chemical compound with molecular formula C8H4N4O2 and molecular weight 188.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-amino-5-nitrobenzene-1,2-dicarbonitrile
Also Known As: 4-Amino-5-nitrophthalonitrile, 4-amino-5-nitrobenzene-1,2-dicarbonitrile, 4-aMino-5-nitrophthalodinitrile, 5-amino-4-nitrophthalonitrile, 4-amino-5-nitro-phthalonitrile
| Molecular Formula | C8H4N4O2 |
|---|---|
| Molecular Weight | 188.03 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 119.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 0 |
| Exact Mass | 188.03343 |
| Heavy Atoms | 14 |
| Complexity | 330.0 |
Chemical Identifiers
| CAS Number | 79319-38-3 |
|---|---|
| SMILES | C1=C(C(=CC(=C1N)[N+](=O)[O-])C#N)C#N |
| InChIKey | IBTXCLAXNPIBPB-UHFFFAOYSA-N |
Product Overview
4-Amino-5-nitrophthalonitrile (CAS 79319-38-3), with molecular formula C8H4N4O2 and molecular weight 188.03 g/mol. IUPAC: 4-amino-5-nitrobenzene-1,2-dicarbonitrile.
Chemical Property Profile of 4-Amino-5-nitrophthalonitrile
Property Insights of 4-Amino-5-nitrophthalonitrile
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Amino-5-nitrophthalonitrile. The TPSA of 119.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Amino-5-nitrophthalonitrile. Following Lipinski's Rule of Five, 4-Amino-5-nitrophthalonitrile has 1 hydrogen bond donor(s) and 5 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 4-Amino-5-nitrophthalonitrile?
The CAS number of 4-Amino-5-nitrophthalonitrile is 79319-38-3.
What is the molecular formula of 4-Amino-5-nitrophthalonitrile?
The molecular formula of 4-Amino-5-nitrophthalonitrile is C8H4N4O2.
What is the molecular weight of 4-Amino-5-nitrophthalonitrile?
The molecular weight of 4-Amino-5-nitrophthalonitrile is 188.03 g/mol.
Where can I buy 4-Amino-5-nitrophthalonitrile?
You can request a quote for 4-Amino-5-nitrophthalonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Amino-5-nitrophthalonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-Amino-5-nitrophthalonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.