N-(3-cyano-5-methyl-4-phenylthiophen-2-yl)-2-oxochromene-3-carboxamide
TL;DR: N-(3-cyano-5-methyl-4-phenylthiophen-2-yl)-2-oxochromene-3-carboxamide (CAS 496017-48-2) is a chemical compound with molecular formula C22H14N2O3S and molecular weight 386.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-cyano-5-methyl-4-phenylthiophen-2-yl)-2-oxochromene-3-carboxamide
Also Known As: N-(3-cyano-5-methyl-4-phenylthiophen-2-yl)-2-oxo-2H-chromene-3-carboxamide, N-(3-cyano-5-methyl-4-phenylthiophen-2-yl)-2-oxochromene-3-carboxamide, N-(3-cyano-5-methyl-4-phenyl(2-thienyl))(2-oxochromen-3-yl)carboxamide, N-(3-cyano-5-methyl-4-phenyl-2-thienyl)-2-oxo-2H-chromene-3-carboxamide, N-(3-cyano-5-methyl-4-phenyl-thiophen-2-yl)-2-oxo-chromene-3-carboxamide
| Molecular Formula | C22H14N2O3S |
|---|---|
| Molecular Weight | 386.07 g/mol |
| LogP | 4.9539 |
| Topological Polar Surface Area | 83.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 386.0725 |
| Heavy Atoms | 28 |
| Complexity | 1297.1039 |
Chemical Identifiers
| CAS Number | 496017-48-2 |
|---|---|
| SMILES | CC1=C(C(=C(S1)NC(=O)C2=CC3=CC=CC=C3OC2=O)C#N)C4=CC=CC=C4 |
Product Overview
N-(3-cyano-5-methyl-4-phenylthiophen-2-yl)-2-oxochromene-3-carboxamide (CAS 496017-48-2), with molecular formula C22H14N2O3S and molecular weight 386.07 g/mol. IUPAC: N-(3-cyano-5-methyl-4-phenylthiophen-2-yl)-2-oxochromene-3-carboxamide.
Chemical Property Profile of N-(3-cyano-5-methyl-4-phenylthiophen-2-yl)-2-oxochromene-3-carboxamide
Property Insights of N-(3-cyano-5-methyl-4-phenylthiophen-2-yl)-2-oxochromene-3-carboxamide
The XLogP value of 4.9539 indicates that N-(3-cyano-5-methyl-4-phenylthiophen-2-yl)-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-(3-cyano-5-methyl-4-phenylthiophen-2-yl)-2-oxochromene-3-carboxamide. Following Lipinski's Rule of Five, N-(3-cyano-5-methyl-4-phenylthiophen-2-yl)-2-oxochromene-3-carboxamide has 1 hydrogen bond donor(s) and 5 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-(3-cyano-5-methyl-4-phenylthiophen-2-yl)-2-oxochromene-3-carboxamide?
The CAS number of N-(3-cyano-5-methyl-4-phenylthiophen-2-yl)-2-oxochromene-3-carboxamide is 496017-48-2.
What is the molecular formula of N-(3-cyano-5-methyl-4-phenylthiophen-2-yl)-2-oxochromene-3-carboxamide?
The molecular formula of N-(3-cyano-5-methyl-4-phenylthiophen-2-yl)-2-oxochromene-3-carboxamide is C22H14N2O3S.
What is the molecular weight of N-(3-cyano-5-methyl-4-phenylthiophen-2-yl)-2-oxochromene-3-carboxamide?
The molecular weight of N-(3-cyano-5-methyl-4-phenylthiophen-2-yl)-2-oxochromene-3-carboxamide is 386.07 g/mol.
Where can I buy N-(3-cyano-5-methyl-4-phenylthiophen-2-yl)-2-oxochromene-3-carboxamide?
You can request a quote for N-(3-cyano-5-methyl-4-phenylthiophen-2-yl)-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-(3-cyano-5-methyl-4-phenylthiophen-2-yl)-2-oxochromene-3-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-(3-cyano-5-methyl-4-phenylthiophen-2-yl)-2-oxochromene-3-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.