(Z)-3-Amino-2,4-dinitro-2-butenoic acid nitrile
TL;DR: (Z)-3-Amino-2,4-dinitro-2-butenoic acid nitrile (CAS 102721-80-2) is a chemical compound with molecular formula C4H4N4O4 and molecular weight 172.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(Z)-3-amino-2,4-dinitrobut-2-enenitrile
Also Known As: (Z)-3-amino-2,4-dinitrobut-2-enenitrile, (Z)-3-Amino-2,4-dinitro-2-butenoic acid nitrile, 2-Butenenitrile,3-amino-2,4-dinitro-, (Z)-, (Z)-3-amino-2,4-dinitro-but-2-enenitrile
| Molecular Formula | C4H4N4O4 |
|---|---|
| Molecular Weight | 172.02 g/mol |
| LogP | -0.76632 |
| Topological Polar Surface Area | 136.09 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 172.02325 |
| Heavy Atoms | 12 |
| Complexity | 287.92322 |
Chemical Identifiers
| CAS Number | 102721-80-2 |
|---|---|
| SMILES | C(/C(=C(\C#N)/[N+](=O)[O-])/N)[N+](=O)[O-] |
Product Overview
(Z)-3-Amino-2,4-dinitro-2-butenoic acid nitrile (CAS 102721-80-2), with molecular formula C4H4N4O4 and molecular weight 172.02 g/mol. IUPAC: (Z)-3-amino-2,4-dinitrobut-2-enenitrile.
Chemical Property Profile of (Z)-3-Amino-2,4-dinitro-2-butenoic acid nitrile
Property Insights of (Z)-3-Amino-2,4-dinitro-2-butenoic acid nitrile
The XLogP value of -0.76632 indicates that (Z)-3-Amino-2,4-dinitro-2-butenoic acid nitrile is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 136.09 Ų falls within the moderate polarity range, balancing permeability and solubility for (Z)-3-Amino-2,4-dinitro-2-butenoic acid nitrile. Following Lipinski's Rule of Five, (Z)-3-Amino-2,4-dinitro-2-butenoic acid nitrile 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 (Z)-3-Amino-2,4-dinitro-2-butenoic acid nitrile?
The CAS number of (Z)-3-Amino-2,4-dinitro-2-butenoic acid nitrile is 102721-80-2.
What is the molecular formula of (Z)-3-Amino-2,4-dinitro-2-butenoic acid nitrile?
The molecular formula of (Z)-3-Amino-2,4-dinitro-2-butenoic acid nitrile is C4H4N4O4.
What is the molecular weight of (Z)-3-Amino-2,4-dinitro-2-butenoic acid nitrile?
The molecular weight of (Z)-3-Amino-2,4-dinitro-2-butenoic acid nitrile is 172.02 g/mol.
Where can I buy (Z)-3-Amino-2,4-dinitro-2-butenoic acid nitrile?
You can request a quote for (Z)-3-Amino-2,4-dinitro-2-butenoic acid nitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (Z)-3-Amino-2,4-dinitro-2-butenoic acid nitrile?
Yes, KEHONG BIO provides custom synthesis services for (Z)-3-Amino-2,4-dinitro-2-butenoic acid nitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.