N-(3-cyano-4,5-dimethylthiophen-2-yl)-4-(2-oxo-2H-chromen-3-yl)benzamide
TL;DR: N-(3-cyano-4,5-dimethylthiophen-2-yl)-4-(2-oxo-2H-chromen-3-yl)benzamide (CAS 846579-94-0) is a chemical compound with molecular formula C23H16N2O3S and molecular weight 400.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-cyano-4,5-dimethylthiophen-2-yl)-4-(2-oxochromen-3-yl)benzamide
Also Known As: N-(3-cyano-4,5-dimethylthiophen-2-yl)-4-(2-oxo-2H-chromen-3-yl)benzamide, N-(3-cyano-4,5-dimethylthiophen-2-yl)-4-(2-oxochromen-3-yl)benzamide
| Molecular Formula | C23H16N2O3S |
|---|---|
| Molecular Weight | 400.09 g/mol |
| LogP | 5.26232 |
| Topological Polar Surface Area | 83.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 400.08817 |
| Heavy Atoms | 29 |
| Complexity | 1341.5486 |
Chemical Identifiers
| CAS Number | 846579-94-0 |
|---|---|
| SMILES | CC1=C(SC(=C1C#N)NC(=O)C2=CC=C(C=C2)C3=CC4=CC=CC=C4OC3=O)C |
Product Overview
N-(3-cyano-4,5-dimethylthiophen-2-yl)-4-(2-oxo-2H-chromen-3-yl)benzamide (CAS 846579-94-0), with molecular formula C23H16N2O3S and molecular weight 400.09 g/mol. IUPAC: N-(3-cyano-4,5-dimethylthiophen-2-yl)-4-(2-oxochromen-3-yl)benzamide.
Chemical Property Profile of N-(3-cyano-4,5-dimethylthiophen-2-yl)-4-(2-oxo-2H-chromen-3-yl)benzamide
Property Insights of N-(3-cyano-4,5-dimethylthiophen-2-yl)-4-(2-oxo-2H-chromen-3-yl)benzamide
The XLogP value of 5.26232 indicates that N-(3-cyano-4,5-dimethylthiophen-2-yl)-4-(2-oxo-2H-chromen-3-yl)benzamide 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-4,5-dimethylthiophen-2-yl)-4-(2-oxo-2H-chromen-3-yl)benzamide. Following Lipinski's Rule of Five, N-(3-cyano-4,5-dimethylthiophen-2-yl)-4-(2-oxo-2H-chromen-3-yl)benzamide 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-(3-cyano-4,5-dimethylthiophen-2-yl)-4-(2-oxo-2H-chromen-3-yl)benzamide?
The CAS number of N-(3-cyano-4,5-dimethylthiophen-2-yl)-4-(2-oxo-2H-chromen-3-yl)benzamide is 846579-94-0.
What is the molecular formula of N-(3-cyano-4,5-dimethylthiophen-2-yl)-4-(2-oxo-2H-chromen-3-yl)benzamide?
The molecular formula of N-(3-cyano-4,5-dimethylthiophen-2-yl)-4-(2-oxo-2H-chromen-3-yl)benzamide is C23H16N2O3S.
What is the molecular weight of N-(3-cyano-4,5-dimethylthiophen-2-yl)-4-(2-oxo-2H-chromen-3-yl)benzamide?
The molecular weight of N-(3-cyano-4,5-dimethylthiophen-2-yl)-4-(2-oxo-2H-chromen-3-yl)benzamide is 400.09 g/mol.
Where can I buy N-(3-cyano-4,5-dimethylthiophen-2-yl)-4-(2-oxo-2H-chromen-3-yl)benzamide?
You can request a quote for N-(3-cyano-4,5-dimethylthiophen-2-yl)-4-(2-oxo-2H-chromen-3-yl)benzamide 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-4,5-dimethylthiophen-2-yl)-4-(2-oxo-2H-chromen-3-yl)benzamide?
Yes, KEHONG BIO provides custom synthesis services for N-(3-cyano-4,5-dimethylthiophen-2-yl)-4-(2-oxo-2H-chromen-3-yl)benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.