![N-[4-(4-butan-2-ylphenyl)-3-cyano-5-methylthiophen-2-yl]-2-[4-(2-methylpropyl)phenyl]quinoline-4-carboxamide structure](/static/products/4452/445233-59-0.webp)
N-[4-(4-butan-2-ylphenyl)-3-cyano-5-methylthiophen-2-yl]-2-[4-(2-methylpropyl)phenyl]quinoline-4-carboxamide
TL;DR: N-[4-(4-butan-2-ylphenyl)-3-cyano-5-methylthiophen-2-yl]-2-[4-(2-methylpropyl)phenyl]quinoline-4-carboxamide (CAS 445233-59-0) is a chemical compound with molecular formula C36H35N3OS and molecular weight 557.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[4-(4-butan-2-ylphenyl)-3-cyano-5-methylthiophen-2-yl]-2-[4-(2-methylpropyl)phenyl]quinoline-4-carboxamide
Also Known As: N-[4-(4-butan-2-ylphenyl)-3-cyano-5-methylthiophen-2-yl]-2-[4-(2-methylpropyl)phenyl]quinoline-4-carboxamide, N-[4-(4-sec-butylphenyl)-3-cyano-5-methyl-2-thienyl]-2-(4-isobutylphenyl)-4-quinolinecarboxamide, N-{4-[4-(butan-2-yl)phenyl]-3-cyano-5-methylthiophen-2-yl}-2-[4-(2-methylpropyl)phenyl]quinoline-4-carboxamide, N-{3-cyano-5-methyl-4-[4-(methylpropyl)phenyl](2-thienyl)}{2-[4-(2-methylpropy l)phenyl](4-quinolyl)}carboxamide
| Molecular Formula | C36H35N3OS |
|---|---|
| Molecular Weight | 557.25 g/mol |
| LogP | 9.7747 |
| Topological Polar Surface Area | 65.78 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 557.25006 |
| Heavy Atoms | 41 |
| Complexity | 1741.48 |
Chemical Identifiers
| CAS Number | 445233-59-0 |
|---|---|
| SMILES | CCC(C)C1=CC=C(C=C1)C2=C(SC(=C2C#N)NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=C(C=C5)CC(C)C)C |
Product Overview
N-[4-(4-butan-2-ylphenyl)-3-cyano-5-methylthiophen-2-yl]-2-[4-(2-methylpropyl)phenyl]quinoline-4-carboxamide (CAS 445233-59-0), with molecular formula C36H35N3OS and molecular weight 557.25 g/mol. IUPAC: N-[4-(4-butan-2-ylphenyl)-3-cyano-5-methylthiophen-2-yl]-2-[4-(2-methylpropyl)phenyl]quinoline-4-carboxamide.
Chemical Property Profile of N-[4-(4-butan-2-ylphenyl)-3-cyano-5-methylthiophen-2-yl]-2-[4-(2-methylpropyl)phenyl]quinoline-4-carboxamide
Property Insights of N-[4-(4-butan-2-ylphenyl)-3-cyano-5-methylthiophen-2-yl]-2-[4-(2-methylpropyl)phenyl]quinoline-4-carboxamide
The XLogP value of 9.7747 indicates that N-[4-(4-butan-2-ylphenyl)-3-cyano-5-methylthiophen-2-yl]-2-[4-(2-methylpropyl)phenyl]quinoline-4-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.78 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[4-(4-butan-2-ylphenyl)-3-cyano-5-methylthiophen-2-yl]-2-[4-(2-methylpropyl)phenyl]quinoline-4-carboxamide. Following Lipinski's Rule of Five, N-[4-(4-butan-2-ylphenyl)-3-cyano-5-methylthiophen-2-yl]-2-[4-(2-methylpropyl)phenyl]quinoline-4-carboxamide has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-[4-(4-butan-2-ylphenyl)-3-cyano-5-methylthiophen-2-yl]-2-[4-(2-methylpropyl)phenyl]quinoline-4-carboxamide?
The CAS number of N-[4-(4-butan-2-ylphenyl)-3-cyano-5-methylthiophen-2-yl]-2-[4-(2-methylpropyl)phenyl]quinoline-4-carboxamide is 445233-59-0.
What is the molecular formula of N-[4-(4-butan-2-ylphenyl)-3-cyano-5-methylthiophen-2-yl]-2-[4-(2-methylpropyl)phenyl]quinoline-4-carboxamide?
The molecular formula of N-[4-(4-butan-2-ylphenyl)-3-cyano-5-methylthiophen-2-yl]-2-[4-(2-methylpropyl)phenyl]quinoline-4-carboxamide is C36H35N3OS.
What is the molecular weight of N-[4-(4-butan-2-ylphenyl)-3-cyano-5-methylthiophen-2-yl]-2-[4-(2-methylpropyl)phenyl]quinoline-4-carboxamide?
The molecular weight of N-[4-(4-butan-2-ylphenyl)-3-cyano-5-methylthiophen-2-yl]-2-[4-(2-methylpropyl)phenyl]quinoline-4-carboxamide is 557.25 g/mol.
Where can I buy N-[4-(4-butan-2-ylphenyl)-3-cyano-5-methylthiophen-2-yl]-2-[4-(2-methylpropyl)phenyl]quinoline-4-carboxamide?
You can request a quote for N-[4-(4-butan-2-ylphenyl)-3-cyano-5-methylthiophen-2-yl]-2-[4-(2-methylpropyl)phenyl]quinoline-4-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[4-(4-butan-2-ylphenyl)-3-cyano-5-methylthiophen-2-yl]-2-[4-(2-methylpropyl)phenyl]quinoline-4-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-[4-(4-butan-2-ylphenyl)-3-cyano-5-methylthiophen-2-yl]-2-[4-(2-methylpropyl)phenyl]quinoline-4-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.