N-(3-cyano-5-methyl-4-phenylthien-2-yl)-3,4-dimethoxybenzamide
TL;DR: N-(3-cyano-5-methyl-4-phenylthien-2-yl)-3,4-dimethoxybenzamide (CAS 445007-61-4) is a chemical compound with molecular formula C21H18N2O3S and molecular weight 378.10 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)-3,4-dimethoxybenzamide
Also Known As: N-(3-cyano-5-methyl-4-phenylthien-2-yl)-3,4-dimethoxybenzamide, N-(3-cyano-5-methyl-4-phenylthiophen-2-yl)-3,4-dimethoxybenzamide, N-(3-cyano-5-methyl-4-phenyl-2-thienyl)-3,4-dimethoxy-benzamide, N-(3-cyano-5-methyl-4-phenyl-2-thiophenyl)-3,4-dimethoxybenzamide, N-(3-CYANO-5-METHYL-4-PHENYL-2-THIENYL)-3,4-DIMETHOXYBENZAMIDE
| Molecular Formula | C21H18N2O3S |
|---|---|
| Molecular Weight | 378.10 g/mol |
| LogP | 4.8647 |
| Topological Polar Surface Area | 71.35 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 378.10382 |
| Heavy Atoms | 27 |
| Complexity | 1019.89624 |
Chemical Identifiers
| CAS Number | 445007-61-4 |
|---|---|
| SMILES | CC1=C(C(=C(S1)NC(=O)C2=CC(=C(C=C2)OC)OC)C#N)C3=CC=CC=C3 |
Product Overview
N-(3-cyano-5-methyl-4-phenylthien-2-yl)-3,4-dimethoxybenzamide (CAS 445007-61-4), with molecular formula C21H18N2O3S and molecular weight 378.10 g/mol. IUPAC: N-(3-cyano-5-methyl-4-phenylthiophen-2-yl)-3,4-dimethoxybenzamide.
Chemical Property Profile of N-(3-cyano-5-methyl-4-phenylthien-2-yl)-3,4-dimethoxybenzamide
Property Insights of N-(3-cyano-5-methyl-4-phenylthien-2-yl)-3,4-dimethoxybenzamide
The XLogP value of 4.8647 indicates that N-(3-cyano-5-methyl-4-phenylthien-2-yl)-3,4-dimethoxybenzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.35 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(3-cyano-5-methyl-4-phenylthien-2-yl)-3,4-dimethoxybenzamide. Following Lipinski's Rule of Five, N-(3-cyano-5-methyl-4-phenylthien-2-yl)-3,4-dimethoxybenzamide 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-phenylthien-2-yl)-3,4-dimethoxybenzamide?
The CAS number of N-(3-cyano-5-methyl-4-phenylthien-2-yl)-3,4-dimethoxybenzamide is 445007-61-4.
What is the molecular formula of N-(3-cyano-5-methyl-4-phenylthien-2-yl)-3,4-dimethoxybenzamide?
The molecular formula of N-(3-cyano-5-methyl-4-phenylthien-2-yl)-3,4-dimethoxybenzamide is C21H18N2O3S.
What is the molecular weight of N-(3-cyano-5-methyl-4-phenylthien-2-yl)-3,4-dimethoxybenzamide?
The molecular weight of N-(3-cyano-5-methyl-4-phenylthien-2-yl)-3,4-dimethoxybenzamide is 378.10 g/mol.
Where can I buy N-(3-cyano-5-methyl-4-phenylthien-2-yl)-3,4-dimethoxybenzamide?
You can request a quote for N-(3-cyano-5-methyl-4-phenylthien-2-yl)-3,4-dimethoxybenzamide 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-phenylthien-2-yl)-3,4-dimethoxybenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-(3-cyano-5-methyl-4-phenylthien-2-yl)-3,4-dimethoxybenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.