![N-[4-(4-butan-2-ylphenyl)-3-cyano-5-methylthiophen-2-yl]-6-chloro-2-oxochromene-3-carboxamide structure](/static/products/4381/438199-21-4.webp)
N-[4-(4-butan-2-ylphenyl)-3-cyano-5-methylthiophen-2-yl]-6-chloro-2-oxochromene-3-carboxamide
TL;DR: N-[4-(4-butan-2-ylphenyl)-3-cyano-5-methylthiophen-2-yl]-6-chloro-2-oxochromene-3-carboxamide (CAS 438199-21-4) is a chemical compound with molecular formula C26H21ClN2O3S and molecular weight 476.10 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]-6-chloro-2-oxochromene-3-carboxamide
Also Known As: N-[4-(4-butan-2-ylphenyl)-3-cyano-5-methylthiophen-2-yl]-6-chloro-2-oxochromene-3-carboxamide, N-[4-(4-sec-butylphenyl)-3-cyano-5-methyl-2-thienyl]-6-chloro-2-oxo-2H-chromene-3-carboxamide, N-{4-[4-(butan-2-yl)phenyl]-3-cyano-5-methylthiophen-2-yl}-6-chloro-2-oxo-2H-chromene-3-carboxamide, (6-chloro-2-oxochromen-3-yl)-N-{3-cyano-5-methyl-4-[4-(methylpropyl)phenyl](2- thienyl)}carboxamide
| Molecular Formula | C26H21ClN2O3S |
|---|---|
| Molecular Weight | 476.10 g/mol |
| LogP | 7.1208 |
| Topological Polar Surface Area | 83.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 476.09613 |
| Heavy Atoms | 33 |
| Complexity | 1462.1566 |
Chemical Identifiers
| CAS Number | 438199-21-4 |
|---|---|
| SMILES | CCC(C)C1=CC=C(C=C1)C2=C(SC(=C2C#N)NC(=O)C3=CC4=C(C=CC(=C4)Cl)OC3=O)C |
Product Overview
N-[4-(4-butan-2-ylphenyl)-3-cyano-5-methylthiophen-2-yl]-6-chloro-2-oxochromene-3-carboxamide (CAS 438199-21-4), with molecular formula C26H21ClN2O3S and molecular weight 476.10 g/mol. IUPAC: N-[4-(4-butan-2-ylphenyl)-3-cyano-5-methylthiophen-2-yl]-6-chloro-2-oxochromene-3-carboxamide.
Chemical Property Profile of N-[4-(4-butan-2-ylphenyl)-3-cyano-5-methylthiophen-2-yl]-6-chloro-2-oxochromene-3-carboxamide
Property Insights of N-[4-(4-butan-2-ylphenyl)-3-cyano-5-methylthiophen-2-yl]-6-chloro-2-oxochromene-3-carboxamide
The XLogP value of 7.1208 indicates that N-[4-(4-butan-2-ylphenyl)-3-cyano-5-methylthiophen-2-yl]-6-chloro-2-oxochromene-3-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.1 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[4-(4-butan-2-ylphenyl)-3-cyano-5-methylthiophen-2-yl]-6-chloro-2-oxochromene-3-carboxamide. Following Lipinski's Rule of Five, N-[4-(4-butan-2-ylphenyl)-3-cyano-5-methylthiophen-2-yl]-6-chloro-2-oxochromene-3-carboxamide has 1 hydrogen bond donor(s) and 5 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]-6-chloro-2-oxochromene-3-carboxamide?
The CAS number of N-[4-(4-butan-2-ylphenyl)-3-cyano-5-methylthiophen-2-yl]-6-chloro-2-oxochromene-3-carboxamide is 438199-21-4.
What is the molecular formula of N-[4-(4-butan-2-ylphenyl)-3-cyano-5-methylthiophen-2-yl]-6-chloro-2-oxochromene-3-carboxamide?
The molecular formula of N-[4-(4-butan-2-ylphenyl)-3-cyano-5-methylthiophen-2-yl]-6-chloro-2-oxochromene-3-carboxamide is C26H21ClN2O3S.
What is the molecular weight of N-[4-(4-butan-2-ylphenyl)-3-cyano-5-methylthiophen-2-yl]-6-chloro-2-oxochromene-3-carboxamide?
The molecular weight of N-[4-(4-butan-2-ylphenyl)-3-cyano-5-methylthiophen-2-yl]-6-chloro-2-oxochromene-3-carboxamide is 476.10 g/mol.
Where can I buy N-[4-(4-butan-2-ylphenyl)-3-cyano-5-methylthiophen-2-yl]-6-chloro-2-oxochromene-3-carboxamide?
You can request a quote for N-[4-(4-butan-2-ylphenyl)-3-cyano-5-methylthiophen-2-yl]-6-chloro-2-oxochromene-3-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]-6-chloro-2-oxochromene-3-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-[4-(4-butan-2-ylphenyl)-3-cyano-5-methylthiophen-2-yl]-6-chloro-2-oxochromene-3-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.