2-Amino-1-(1-aza-2-(3,4-dihydroxy-6-nitrophenyl)vinyl)ethene-1,2-dicarbonitrile
TL;DR: 2-Amino-1-(1-aza-2-(3,4-dihydroxy-6-nitrophenyl)vinyl)ethene-1,2-dicarbonitrile (CAS 1159976-69-8) is a chemical compound with molecular formula C11H7N5O4 and molecular weight 273.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-3-[(4,5-dihydroxy-2-nitrophenyl)methylideneamino]but-2-enedinitrile
Also Known As: 2-amino-1-(1-aza-2-(3,4-dihydroxy-6-nitrophenyl)vinyl)ethene-1,2-dicarbonitrile, 2-amino-3-[(4,5-dihydroxy-2-nitro-phenyl)methyleneamino]but-2-enedinitrile, 2-amino-3-[(5-hydroxy-2-nitro-4-oxo-1-cyclohexa-2,5-dienylidene)methylamino]but-2-enedinitrile, 2-amino-3-[(5-hydroxy-2-nitro-4-oxocyclohexa-2,5-dien-1-ylidene)methylamino]but-2-enedinitrile
| Molecular Formula | C11H7N5O4 |
|---|---|
| Molecular Weight | 273.05 g/mol |
| LogP | 0.64236 |
| Topological Polar Surface Area | 169.56 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 3 |
| Exact Mass | 273.0498 |
| Heavy Atoms | 20 |
| Complexity | 708.74927 |
Chemical Identifiers
| CAS Number | 1159976-69-8 |
|---|---|
| SMILES | C1=C(C(=CC(=C1O)O)[N+](=O)[O-])C=NC(=C(C#N)N)C#N |
Product Overview
2-Amino-1-(1-aza-2-(3,4-dihydroxy-6-nitrophenyl)vinyl)ethene-1,2-dicarbonitrile (CAS 1159976-69-8), with molecular formula C11H7N5O4 and molecular weight 273.05 g/mol. IUPAC: 2-amino-3-[(4,5-dihydroxy-2-nitrophenyl)methylideneamino]but-2-enedinitrile.
Chemical Property Profile of 2-Amino-1-(1-aza-2-(3,4-dihydroxy-6-nitrophenyl)vinyl)ethene-1,2-dicarbonitrile
Property Insights of 2-Amino-1-(1-aza-2-(3,4-dihydroxy-6-nitrophenyl)vinyl)ethene-1,2-dicarbonitrile
The XLogP value of 0.64236 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Amino-1-(1-aza-2-(3,4-dihydroxy-6-nitrophenyl)vinyl)ethene-1,2-dicarbonitrile. The TPSA of 169.56 Ų indicates high polarity, suggesting 2-Amino-1-(1-aza-2-(3,4-dihydroxy-6-nitrophenyl)vinyl)ethene-1,2-dicarbonitrile may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2-Amino-1-(1-aza-2-(3,4-dihydroxy-6-nitrophenyl)vinyl)ethene-1,2-dicarbonitrile has 3 hydrogen bond donor(s) and 8 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-Amino-1-(1-aza-2-(3,4-dihydroxy-6-nitrophenyl)vinyl)ethene-1,2-dicarbonitrile?
The CAS number of 2-Amino-1-(1-aza-2-(3,4-dihydroxy-6-nitrophenyl)vinyl)ethene-1,2-dicarbonitrile is 1159976-69-8.
What is the molecular formula of 2-Amino-1-(1-aza-2-(3,4-dihydroxy-6-nitrophenyl)vinyl)ethene-1,2-dicarbonitrile?
The molecular formula of 2-Amino-1-(1-aza-2-(3,4-dihydroxy-6-nitrophenyl)vinyl)ethene-1,2-dicarbonitrile is C11H7N5O4.
What is the molecular weight of 2-Amino-1-(1-aza-2-(3,4-dihydroxy-6-nitrophenyl)vinyl)ethene-1,2-dicarbonitrile?
The molecular weight of 2-Amino-1-(1-aza-2-(3,4-dihydroxy-6-nitrophenyl)vinyl)ethene-1,2-dicarbonitrile is 273.05 g/mol.
Where can I buy 2-Amino-1-(1-aza-2-(3,4-dihydroxy-6-nitrophenyl)vinyl)ethene-1,2-dicarbonitrile?
You can request a quote for 2-Amino-1-(1-aza-2-(3,4-dihydroxy-6-nitrophenyl)vinyl)ethene-1,2-dicarbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Amino-1-(1-aza-2-(3,4-dihydroxy-6-nitrophenyl)vinyl)ethene-1,2-dicarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-Amino-1-(1-aza-2-(3,4-dihydroxy-6-nitrophenyl)vinyl)ethene-1,2-dicarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.