![[(2-Amino-1-cyano-2-oxoethylidene)amino] benzoate structure](/static/products/2099/20992-41-0.webp)
[(2-Amino-1-cyano-2-oxoethylidene)amino] benzoate
TL;DR: [(2-Amino-1-cyano-2-oxoethylidene)amino] benzoate (CAS 20992-41-0) is a chemical compound with molecular formula C10H7N3O3 and molecular weight 217.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2-amino-1-cyano-2-oxoethylidene)amino] benzoate
Also Known As: 2-amino-N-(benzoyloxy)-2-oxoethanimidoyl cyanide, [(2-amino-1-cyano-2-oxoethylidene)amino] benzoate
| Molecular Formula | C10H7N3O3 |
|---|---|
| Molecular Weight | 217.05 g/mol |
| LogP | 0.20828 |
| Topological Polar Surface Area | 105.54 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 217.04874 |
| Heavy Atoms | 16 |
| Complexity | 473.83267 |
Chemical Identifiers
| CAS Number | 20992-41-0 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)ON=C(C#N)C(=O)N |
Product Overview
[(2-Amino-1-cyano-2-oxoethylidene)amino] benzoate (CAS 20992-41-0), with molecular formula C10H7N3O3 and molecular weight 217.05 g/mol. IUPAC: [(2-amino-1-cyano-2-oxoethylidene)amino] benzoate.
Chemical Property Profile of [(2-Amino-1-cyano-2-oxoethylidene)amino] benzoate
Property Insights of [(2-Amino-1-cyano-2-oxoethylidene)amino] benzoate
The XLogP value of 0.20828 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [(2-Amino-1-cyano-2-oxoethylidene)amino] benzoate. The TPSA of 105.54 Ų falls within the moderate polarity range, balancing permeability and solubility for [(2-Amino-1-cyano-2-oxoethylidene)amino] benzoate. Following Lipinski's Rule of Five, [(2-Amino-1-cyano-2-oxoethylidene)amino] benzoate 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 [(2-Amino-1-cyano-2-oxoethylidene)amino] benzoate?
The CAS number of [(2-Amino-1-cyano-2-oxoethylidene)amino] benzoate is 20992-41-0.
What is the molecular formula of [(2-Amino-1-cyano-2-oxoethylidene)amino] benzoate?
The molecular formula of [(2-Amino-1-cyano-2-oxoethylidene)amino] benzoate is C10H7N3O3.
What is the molecular weight of [(2-Amino-1-cyano-2-oxoethylidene)amino] benzoate?
The molecular weight of [(2-Amino-1-cyano-2-oxoethylidene)amino] benzoate is 217.05 g/mol.
Where can I buy [(2-Amino-1-cyano-2-oxoethylidene)amino] benzoate?
You can request a quote for [(2-Amino-1-cyano-2-oxoethylidene)amino] benzoate 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-cyano-2-oxoethylidene)amino] benzoate?
Yes, KEHONG BIO provides custom synthesis services for [(2-Amino-1-cyano-2-oxoethylidene)amino] benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.