![4-[(2-Amino-1-cyano-2-methoxyethenyl)iminomethyl]benzonitrile structure](/static/products/3389/338977-03-0.webp)
4-[(2-Amino-1-cyano-2-methoxyethenyl)iminomethyl]benzonitrile
TL;DR: 4-[(2-Amino-1-cyano-2-methoxyethenyl)iminomethyl]benzonitrile (CAS 338977-03-0) is a chemical compound with molecular formula C12H10N4O and molecular weight 226.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(2-amino-1-cyano-2-methoxyethenyl)iminomethyl]benzonitrile
Also Known As: 4-[(2-amino-1-cyano-2-methoxy-ethenyl)iminomethyl]benzonitrile, 4-[(2-amino-1-cyano-2-methoxyethenyl)iminomethyl]benzonitrile, 4-{[(2-amino-1-cyano-2-methoxyvinyl)imino]methyl}benzenecarbonitrile
| Molecular Formula | C12H10N4O |
|---|---|
| Molecular Weight | 226.09 g/mol |
| LogP | 1.27496 |
| Topological Polar Surface Area | 95.19 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 226.08546 |
| Heavy Atoms | 17 |
| Complexity | 529.10944 |
Chemical Identifiers
| CAS Number | 338977-03-0 |
|---|---|
| SMILES | COC(=C(C#N)N=CC1=CC=C(C=C1)C#N)N |
Product Overview
4-[(2-Amino-1-cyano-2-methoxyethenyl)iminomethyl]benzonitrile (CAS 338977-03-0), with molecular formula C12H10N4O and molecular weight 226.09 g/mol. IUPAC: 4-[(2-amino-1-cyano-2-methoxyethenyl)iminomethyl]benzonitrile.
Chemical Property Profile of 4-[(2-Amino-1-cyano-2-methoxyethenyl)iminomethyl]benzonitrile
Property Insights of 4-[(2-Amino-1-cyano-2-methoxyethenyl)iminomethyl]benzonitrile
The XLogP value of 1.27496 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-[(2-Amino-1-cyano-2-methoxyethenyl)iminomethyl]benzonitrile. The TPSA of 95.19 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[(2-Amino-1-cyano-2-methoxyethenyl)iminomethyl]benzonitrile. Following Lipinski's Rule of Five, 4-[(2-Amino-1-cyano-2-methoxyethenyl)iminomethyl]benzonitrile 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-[(2-Amino-1-cyano-2-methoxyethenyl)iminomethyl]benzonitrile?
The CAS number of 4-[(2-Amino-1-cyano-2-methoxyethenyl)iminomethyl]benzonitrile is 338977-03-0.
What is the molecular formula of 4-[(2-Amino-1-cyano-2-methoxyethenyl)iminomethyl]benzonitrile?
The molecular formula of 4-[(2-Amino-1-cyano-2-methoxyethenyl)iminomethyl]benzonitrile is C12H10N4O.
What is the molecular weight of 4-[(2-Amino-1-cyano-2-methoxyethenyl)iminomethyl]benzonitrile?
The molecular weight of 4-[(2-Amino-1-cyano-2-methoxyethenyl)iminomethyl]benzonitrile is 226.09 g/mol.
Where can I buy 4-[(2-Amino-1-cyano-2-methoxyethenyl)iminomethyl]benzonitrile?
You can request a quote for 4-[(2-Amino-1-cyano-2-methoxyethenyl)iminomethyl]benzonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[(2-Amino-1-cyano-2-methoxyethenyl)iminomethyl]benzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-[(2-Amino-1-cyano-2-methoxyethenyl)iminomethyl]benzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.