![N-[2-[(1E)-4,4-dicyanobuta-1,3-dienyl]-5-methylphenyl]benzamide structure](/static/products/100/100243-29-6.png)
N-[2-[(1E)-4,4-dicyanobuta-1,3-dienyl]-5-methylphenyl]benzamide
TL;DR: N-[2-[(1E)-4,4-dicyanobuta-1,3-dienyl]-5-methylphenyl]benzamide (CAS 100243-29-6) is a chemical compound with molecular formula C20H15N3O and molecular weight 313.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-[(1E)-4,4-dicyanobuta-1,3-dienyl]-5-methylphenyl]benzamide
Also Known As: 2-Benzamido-4-methylcinnamylidenemalononitrile, N-(2-(4,4-Dicyano-1,3-butadienyl)-5-methylphenyl)benzamide, n-[2-(4,4-dicyanobuta-1,3-dien-1-yl)-5-methylphenyl]benzamide, N-[2-[(1E)-4,4-dicyanobuta-1,3-dienyl]-5-methylphenyl]benzamide, BENZAMIDE, N-(2-(4,4-DICYANO-1,3-BUTADIENYL)-5-METHYLPHENYL)-
| Molecular Formula | C20H15N3O |
|---|---|
| Molecular Weight | 313.12 g/mol |
| LogP | 4.23408 |
| Topological Polar Surface Area | 76.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 313.12152 |
| Heavy Atoms | 24 |
| Complexity | 865.3354 |
Chemical Identifiers
| CAS Number | 100243-29-6 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)/C=C/C=C(C#N)C#N)NC(=O)C2=CC=CC=C2 |
Product Overview
N-[2-[(1E)-4,4-dicyanobuta-1,3-dienyl]-5-methylphenyl]benzamide (CAS 100243-29-6), with molecular formula C20H15N3O and molecular weight 313.12 g/mol. IUPAC: N-[2-[(1E)-4,4-dicyanobuta-1,3-dienyl]-5-methylphenyl]benzamide.
Chemical Property Profile of N-[2-[(1E)-4,4-dicyanobuta-1,3-dienyl]-5-methylphenyl]benzamide
Property Insights of N-[2-[(1E)-4,4-dicyanobuta-1,3-dienyl]-5-methylphenyl]benzamide
The XLogP value of 4.23408 indicates that N-[2-[(1E)-4,4-dicyanobuta-1,3-dienyl]-5-methylphenyl]benzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.68 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[2-[(1E)-4,4-dicyanobuta-1,3-dienyl]-5-methylphenyl]benzamide. Following Lipinski's Rule of Five, N-[2-[(1E)-4,4-dicyanobuta-1,3-dienyl]-5-methylphenyl]benzamide has 1 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 N-[2-[(1E)-4,4-dicyanobuta-1,3-dienyl]-5-methylphenyl]benzamide?
The CAS number of N-[2-[(1E)-4,4-dicyanobuta-1,3-dienyl]-5-methylphenyl]benzamide is 100243-29-6.
What is the molecular formula of N-[2-[(1E)-4,4-dicyanobuta-1,3-dienyl]-5-methylphenyl]benzamide?
The molecular formula of N-[2-[(1E)-4,4-dicyanobuta-1,3-dienyl]-5-methylphenyl]benzamide is C20H15N3O.
What is the molecular weight of N-[2-[(1E)-4,4-dicyanobuta-1,3-dienyl]-5-methylphenyl]benzamide?
The molecular weight of N-[2-[(1E)-4,4-dicyanobuta-1,3-dienyl]-5-methylphenyl]benzamide is 313.12 g/mol.
Where can I buy N-[2-[(1E)-4,4-dicyanobuta-1,3-dienyl]-5-methylphenyl]benzamide?
You can request a quote for N-[2-[(1E)-4,4-dicyanobuta-1,3-dienyl]-5-methylphenyl]benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[2-[(1E)-4,4-dicyanobuta-1,3-dienyl]-5-methylphenyl]benzamide?
Yes, KEHONG BIO provides custom synthesis services for N-[2-[(1E)-4,4-dicyanobuta-1,3-dienyl]-5-methylphenyl]benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.