5-Chloro-2-cyano-5-(4-methylphenyl)penta-2,4-dienamide
TL;DR: 5-Chloro-2-cyano-5-(4-methylphenyl)penta-2,4-dienamide (CAS 41877-80-9) is a chemical compound with molecular formula C13H11ClN2O and molecular weight 246.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-chloro-2-cyano-5-(4-methylphenyl)penta-2,4-dienamide
Also Known As: 5-chloro-2-cyano-5-(4-methylphenyl)penta-2,4-dienamide, 1,1'-Biphenyl,2,2',3,4,5,6-hexafluoro, 2,4-Pentadienamide, 5-chloro-2-cyano-5-(4-methylphenyl)-
| Molecular Formula | C13H11ClN2O |
|---|---|
| Molecular Weight | 246.06 g/mol |
| LogP | 2.51 |
| Topological Polar Surface Area | 66.88 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 246.05598 |
| Heavy Atoms | 17 |
| Complexity | 521.3456 |
Chemical Identifiers
| CAS Number | 41877-80-9 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C(=CC=C(C#N)C(=O)N)Cl |
Product Overview
5-Chloro-2-cyano-5-(4-methylphenyl)penta-2,4-dienamide (CAS 41877-80-9), with molecular formula C13H11ClN2O and molecular weight 246.06 g/mol. IUPAC: 5-chloro-2-cyano-5-(4-methylphenyl)penta-2,4-dienamide.
Chemical Property Profile of 5-Chloro-2-cyano-5-(4-methylphenyl)penta-2,4-dienamide
Property Insights of 5-Chloro-2-cyano-5-(4-methylphenyl)penta-2,4-dienamide
The XLogP value of 2.51 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Chloro-2-cyano-5-(4-methylphenyl)penta-2,4-dienamide. The TPSA of 66.88 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Chloro-2-cyano-5-(4-methylphenyl)penta-2,4-dienamide. Following Lipinski's Rule of Five, 5-Chloro-2-cyano-5-(4-methylphenyl)penta-2,4-dienamide 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 5-Chloro-2-cyano-5-(4-methylphenyl)penta-2,4-dienamide?
The CAS number of 5-Chloro-2-cyano-5-(4-methylphenyl)penta-2,4-dienamide is 41877-80-9.
What is the molecular formula of 5-Chloro-2-cyano-5-(4-methylphenyl)penta-2,4-dienamide?
The molecular formula of 5-Chloro-2-cyano-5-(4-methylphenyl)penta-2,4-dienamide is C13H11ClN2O.
What is the molecular weight of 5-Chloro-2-cyano-5-(4-methylphenyl)penta-2,4-dienamide?
The molecular weight of 5-Chloro-2-cyano-5-(4-methylphenyl)penta-2,4-dienamide is 246.06 g/mol.
Where can I buy 5-Chloro-2-cyano-5-(4-methylphenyl)penta-2,4-dienamide?
You can request a quote for 5-Chloro-2-cyano-5-(4-methylphenyl)penta-2,4-dienamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Chloro-2-cyano-5-(4-methylphenyl)penta-2,4-dienamide?
Yes, KEHONG BIO provides custom synthesis services for 5-Chloro-2-cyano-5-(4-methylphenyl)penta-2,4-dienamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.