2-Amino-1-(aza(2-oxoindolin-3-ylidene)methyl)ethene-1,2-dicarbonitrile
TL;DR: 2-Amino-1-(aza(2-oxoindolin-3-ylidene)methyl)ethene-1,2-dicarbonitrile (CAS 52197-16-7) is a chemical compound with molecular formula C12H7N5O and molecular weight 237.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N'-(2-hydroxy-1H-indol-3-yl)ethanediimidoyl dicyanide
Also Known As: N'-(2-hydroxy-1H-indol-3-yl)ethanediimidoyl dicyanide, 2-amino-1-(aza(2-oxoindolin-3-ylidene)methyl)ethene-1,2-dicarbonitrile, N'-(2-hydroxy-1H-indol-3-yl)oxalimidoyl cyanide, 2-amino-3-[(2-oxoindol-3-yl)amino]but-2-enedinitrile, (Z)-2-amino-3-[(2-oxoindol-3-yl)amino]but-2-enedinitrile
| Molecular Formula | C12H7N5O |
|---|---|
| Molecular Weight | 237.07 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 120.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 237.06506 |
| Heavy Atoms | 18 |
| Complexity | 479.0 |
Chemical Identifiers
| CAS Number | 52197-16-7 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=C(N2)O)N=C(C#N)C(=N)C#N |
| InChIKey | DLUWHSLQRXELBQ-UHFFFAOYSA-N |
Product Overview
2-Amino-1-(aza(2-oxoindolin-3-ylidene)methyl)ethene-1,2-dicarbonitrile (CAS 52197-16-7), with molecular formula C12H7N5O and molecular weight 237.07 g/mol. IUPAC: N'-(2-hydroxy-1H-indol-3-yl)ethanediimidoyl dicyanide.
Chemical Property Profile of 2-Amino-1-(aza(2-oxoindolin-3-ylidene)methyl)ethene-1,2-dicarbonitrile
Property Insights of 2-Amino-1-(aza(2-oxoindolin-3-ylidene)methyl)ethene-1,2-dicarbonitrile
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Amino-1-(aza(2-oxoindolin-3-ylidene)methyl)ethene-1,2-dicarbonitrile. The TPSA of 120.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Amino-1-(aza(2-oxoindolin-3-ylidene)methyl)ethene-1,2-dicarbonitrile. Following Lipinski's Rule of Five, 2-Amino-1-(aza(2-oxoindolin-3-ylidene)methyl)ethene-1,2-dicarbonitrile has 3 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 2-Amino-1-(aza(2-oxoindolin-3-ylidene)methyl)ethene-1,2-dicarbonitrile?
The CAS number of 2-Amino-1-(aza(2-oxoindolin-3-ylidene)methyl)ethene-1,2-dicarbonitrile is 52197-16-7.
What is the molecular formula of 2-Amino-1-(aza(2-oxoindolin-3-ylidene)methyl)ethene-1,2-dicarbonitrile?
The molecular formula of 2-Amino-1-(aza(2-oxoindolin-3-ylidene)methyl)ethene-1,2-dicarbonitrile is C12H7N5O.
What is the molecular weight of 2-Amino-1-(aza(2-oxoindolin-3-ylidene)methyl)ethene-1,2-dicarbonitrile?
The molecular weight of 2-Amino-1-(aza(2-oxoindolin-3-ylidene)methyl)ethene-1,2-dicarbonitrile is 237.07 g/mol.
Where can I buy 2-Amino-1-(aza(2-oxoindolin-3-ylidene)methyl)ethene-1,2-dicarbonitrile?
You can request a quote for 2-Amino-1-(aza(2-oxoindolin-3-ylidene)methyl)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-(aza(2-oxoindolin-3-ylidene)methyl)ethene-1,2-dicarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-Amino-1-(aza(2-oxoindolin-3-ylidene)methyl)ethene-1,2-dicarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.