3-(Phenylamino)-2-(phenylcarbonyl)-3-azaprop-2-enenitrile
TL;DR: 3-(Phenylamino)-2-(phenylcarbonyl)-3-azaprop-2-enenitrile (CAS 13491-70-8) is a chemical compound with molecular formula C15H11N3O and molecular weight 249.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-anilino-2-oxo-2-phenylethanimidoyl cyanide
Also Known As: NCIOpen2_006495, N-anilino-2-oxo-2-phenylethanimidoyl cyanide, 3-oxo-3-phenyl-2-(phenylhydrazono)propanenitrile, 3-oxo-3-phenyl-2-(2-phenylhydrazinylidene)propanenitrile, 3-(phenylamino)-2-(phenylcarbonyl)-3-azaprop-2-enenitrile
| Molecular Formula | C15H11N3O |
|---|---|
| Molecular Weight | 249.09 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 65.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 249.09021 |
| Heavy Atoms | 19 |
| Complexity | 381.0 |
Chemical Identifiers
| CAS Number | 13491-70-8 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)C(=NNC2=CC=CC=C2)C#N |
| InChIKey | BSUQPKCNPVQHEV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-(Phenylamino)-2-(phenylcarbonyl)-3-azaprop-2-enenitrile (CAS 13491-70-8), with molecular formula C15H11N3O and molecular weight 249.09 g/mol. IUPAC: N-anilino-2-oxo-2-phenylethanimidoyl cyanide.
Chemical Property Profile of 3-(Phenylamino)-2-(phenylcarbonyl)-3-azaprop-2-enenitrile
Property Insights of 3-(Phenylamino)-2-(phenylcarbonyl)-3-azaprop-2-enenitrile
The XLogP value of 3.8 indicates that 3-(Phenylamino)-2-(phenylcarbonyl)-3-azaprop-2-enenitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(Phenylamino)-2-(phenylcarbonyl)-3-azaprop-2-enenitrile. Following Lipinski's Rule of Five, 3-(Phenylamino)-2-(phenylcarbonyl)-3-azaprop-2-enenitrile has 1 hydrogen bond donor(s) and 4 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 3-(Phenylamino)-2-(phenylcarbonyl)-3-azaprop-2-enenitrile?
The CAS number of 3-(Phenylamino)-2-(phenylcarbonyl)-3-azaprop-2-enenitrile is 13491-70-8.
What is the molecular formula of 3-(Phenylamino)-2-(phenylcarbonyl)-3-azaprop-2-enenitrile?
The molecular formula of 3-(Phenylamino)-2-(phenylcarbonyl)-3-azaprop-2-enenitrile is C15H11N3O.
What is the molecular weight of 3-(Phenylamino)-2-(phenylcarbonyl)-3-azaprop-2-enenitrile?
The molecular weight of 3-(Phenylamino)-2-(phenylcarbonyl)-3-azaprop-2-enenitrile is 249.09 g/mol.
Where can I buy 3-(Phenylamino)-2-(phenylcarbonyl)-3-azaprop-2-enenitrile?
You can request a quote for 3-(Phenylamino)-2-(phenylcarbonyl)-3-azaprop-2-enenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(Phenylamino)-2-(phenylcarbonyl)-3-azaprop-2-enenitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-(Phenylamino)-2-(phenylcarbonyl)-3-azaprop-2-enenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.