3-Anilino-2-cyanoprop-2-enamide
TL;DR: 3-Anilino-2-cyanoprop-2-enamide (CAS 80420-96-8) is a chemical compound with molecular formula C10H9N3O and molecular weight 187.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-anilino-2-cyanoprop-2-enamide
Also Known As: 3-anilino-2-cyanoprop-2-enamide, (E)-3-anilino-2-cyanoprop-2-enamide
| Molecular Formula | C10H9N3O |
|---|---|
| Molecular Weight | 187.07 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 78.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 187.07455 |
| Heavy Atoms | 14 |
| Complexity | 281.0 |
Chemical Identifiers
| CAS Number | 80420-96-8 |
|---|---|
| SMILES | C1=CC=C(C=C1)NC=C(C#N)C(=O)N |
| InChIKey | XMQURBRGSQJSKN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Anilino-2-cyanoprop-2-enamide (CAS 80420-96-8), with molecular formula C10H9N3O and molecular weight 187.07 g/mol. IUPAC: 3-anilino-2-cyanoprop-2-enamide.
Chemical Property Profile of 3-Anilino-2-cyanoprop-2-enamide
Property Insights of 3-Anilino-2-cyanoprop-2-enamide
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Anilino-2-cyanoprop-2-enamide. The TPSA of 78.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Anilino-2-cyanoprop-2-enamide. Following Lipinski's Rule of Five, 3-Anilino-2-cyanoprop-2-enamide has 2 hydrogen bond donor(s) and 3 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-Anilino-2-cyanoprop-2-enamide?
The CAS number of 3-Anilino-2-cyanoprop-2-enamide is 80420-96-8.
What is the molecular formula of 3-Anilino-2-cyanoprop-2-enamide?
The molecular formula of 3-Anilino-2-cyanoprop-2-enamide is C10H9N3O.
What is the molecular weight of 3-Anilino-2-cyanoprop-2-enamide?
The molecular weight of 3-Anilino-2-cyanoprop-2-enamide is 187.07 g/mol.
Where can I buy 3-Anilino-2-cyanoprop-2-enamide?
You can request a quote for 3-Anilino-2-cyanoprop-2-enamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Anilino-2-cyanoprop-2-enamide?
Yes, KEHONG BIO provides custom synthesis services for 3-Anilino-2-cyanoprop-2-enamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.