3-(2-chlorophenyl)-2-cyano-N-(propan-2-yl)prop-2-enamide
TL;DR: 3-(2-chlorophenyl)-2-cyano-N-(propan-2-yl)prop-2-enamide (CAS 444803-38-7) is a chemical compound with molecular formula C13H13ClN2O and molecular weight 248.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-3-(2-chlorophenyl)-2-cyano-N-propan-2-ylprop-2-enamide
Also Known As: 3-(2-chlorophenyl)-2-cyano-N-(propan-2-yl)prop-2-enamide, (E)-3-(2-chlorophenyl)-2-cyano-N-propan-2-ylprop-2-enamide
| Molecular Formula | C13H13ClN2O |
|---|---|
| Molecular Weight | 248.07 g/mol |
| LogP | 2.77158 |
| Topological Polar Surface Area | 52.89 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 248.07164 |
| Heavy Atoms | 17 |
| Complexity | 486.438 |
Chemical Identifiers
| CAS Number | 444803-38-7 |
|---|---|
| SMILES | CC(C)NC(=O)/C(=C/C1=CC=CC=C1Cl)/C#N |
Product Overview
3-(2-chlorophenyl)-2-cyano-N-(propan-2-yl)prop-2-enamide (CAS 444803-38-7), with molecular formula C13H13ClN2O and molecular weight 248.07 g/mol. IUPAC: (E)-3-(2-chlorophenyl)-2-cyano-N-propan-2-ylprop-2-enamide.
Chemical Property Profile of 3-(2-chlorophenyl)-2-cyano-N-(propan-2-yl)prop-2-enamide
Property Insights of 3-(2-chlorophenyl)-2-cyano-N-(propan-2-yl)prop-2-enamide
The XLogP value of 2.77158 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(2-chlorophenyl)-2-cyano-N-(propan-2-yl)prop-2-enamide. With a topological polar surface area (TPSA) of 52.89 Ų, 3-(2-chlorophenyl)-2-cyano-N-(propan-2-yl)prop-2-enamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(2-chlorophenyl)-2-cyano-N-(propan-2-yl)prop-2-enamide has 1 hydrogen bond donor(s) and 2 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-(2-chlorophenyl)-2-cyano-N-(propan-2-yl)prop-2-enamide?
The CAS number of 3-(2-chlorophenyl)-2-cyano-N-(propan-2-yl)prop-2-enamide is 444803-38-7.
What is the molecular formula of 3-(2-chlorophenyl)-2-cyano-N-(propan-2-yl)prop-2-enamide?
The molecular formula of 3-(2-chlorophenyl)-2-cyano-N-(propan-2-yl)prop-2-enamide is C13H13ClN2O.
What is the molecular weight of 3-(2-chlorophenyl)-2-cyano-N-(propan-2-yl)prop-2-enamide?
The molecular weight of 3-(2-chlorophenyl)-2-cyano-N-(propan-2-yl)prop-2-enamide is 248.07 g/mol.
Where can I buy 3-(2-chlorophenyl)-2-cyano-N-(propan-2-yl)prop-2-enamide?
You can request a quote for 3-(2-chlorophenyl)-2-cyano-N-(propan-2-yl)prop-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-(2-chlorophenyl)-2-cyano-N-(propan-2-yl)prop-2-enamide?
Yes, KEHONG BIO provides custom synthesis services for 3-(2-chlorophenyl)-2-cyano-N-(propan-2-yl)prop-2-enamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.