![2-chloro-N-[3-[2-cyano-2-(phenethylcarbamoyl)ethenyl]phenyl]benzamide structure](/static/products/1164/1164551-00-1.webp)
2-chloro-N-[3-[2-cyano-2-(phenethylcarbamoyl)ethenyl]phenyl]benzamide
TL;DR: 2-chloro-N-[3-[2-cyano-2-(phenethylcarbamoyl)ethenyl]phenyl]benzamide (CAS 1164551-00-1) is a chemical compound with molecular formula C25H20ClN3O2 and molecular weight 429.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-N-[3-[(E)-2-cyano-3-oxo-3-(2-phenylethylamino)prop-1-enyl]phenyl]benzamide
Also Known As: 2-chloro-N-[3-[2-cyano-2-(phenethylcarbamoyl)ethenyl]phenyl]benzamide, 2-chloro-N-(3-{2-cyano-2-[(2-phenylethyl)carbamoyl]eth-1-en-1-yl}phenyl)benzamide, 2-chloro-N-[3-[(E)-2-cyano-3-oxo-3-(phenethylamino)prop-1-enyl]phenyl]benzamide
| Molecular Formula | C25H20ClN3O2 |
|---|---|
| Molecular Weight | 429.12 g/mol |
| LogP | 4.85818 |
| Topological Polar Surface Area | 81.99 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 429.1244 |
| Heavy Atoms | 31 |
| Complexity | 1150.6836 |
Chemical Identifiers
| CAS Number | 1164551-00-1 |
|---|---|
| SMILES | C1=CC=C(C=C1)CCNC(=O)/C(=C/C2=CC(=CC=C2)NC(=O)C3=CC=CC=C3Cl)/C#N |
Product Overview
2-chloro-N-[3-[2-cyano-2-(phenethylcarbamoyl)ethenyl]phenyl]benzamide (CAS 1164551-00-1), with molecular formula C25H20ClN3O2 and molecular weight 429.12 g/mol. IUPAC: 2-chloro-N-[3-[(E)-2-cyano-3-oxo-3-(2-phenylethylamino)prop-1-enyl]phenyl]benzamide.
Chemical Property Profile of 2-chloro-N-[3-[2-cyano-2-(phenethylcarbamoyl)ethenyl]phenyl]benzamide
Property Insights of 2-chloro-N-[3-[2-cyano-2-(phenethylcarbamoyl)ethenyl]phenyl]benzamide
The XLogP value of 4.85818 indicates that 2-chloro-N-[3-[2-cyano-2-(phenethylcarbamoyl)ethenyl]phenyl]benzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.99 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-chloro-N-[3-[2-cyano-2-(phenethylcarbamoyl)ethenyl]phenyl]benzamide. Following Lipinski's Rule of Five, 2-chloro-N-[3-[2-cyano-2-(phenethylcarbamoyl)ethenyl]phenyl]benzamide 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 2-chloro-N-[3-[2-cyano-2-(phenethylcarbamoyl)ethenyl]phenyl]benzamide?
The CAS number of 2-chloro-N-[3-[2-cyano-2-(phenethylcarbamoyl)ethenyl]phenyl]benzamide is 1164551-00-1.
What is the molecular formula of 2-chloro-N-[3-[2-cyano-2-(phenethylcarbamoyl)ethenyl]phenyl]benzamide?
The molecular formula of 2-chloro-N-[3-[2-cyano-2-(phenethylcarbamoyl)ethenyl]phenyl]benzamide is C25H20ClN3O2.
What is the molecular weight of 2-chloro-N-[3-[2-cyano-2-(phenethylcarbamoyl)ethenyl]phenyl]benzamide?
The molecular weight of 2-chloro-N-[3-[2-cyano-2-(phenethylcarbamoyl)ethenyl]phenyl]benzamide is 429.12 g/mol.
Where can I buy 2-chloro-N-[3-[2-cyano-2-(phenethylcarbamoyl)ethenyl]phenyl]benzamide?
You can request a quote for 2-chloro-N-[3-[2-cyano-2-(phenethylcarbamoyl)ethenyl]phenyl]benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-chloro-N-[3-[2-cyano-2-(phenethylcarbamoyl)ethenyl]phenyl]benzamide?
Yes, KEHONG BIO provides custom synthesis services for 2-chloro-N-[3-[2-cyano-2-(phenethylcarbamoyl)ethenyl]phenyl]benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.