N-(3-cyano-4,5-dimethylthiophen-2-yl)-4-isopropoxybenzamide
TL;DR: N-(3-cyano-4,5-dimethylthiophen-2-yl)-4-isopropoxybenzamide (CAS 896304-46-4) is a chemical compound with molecular formula C17H18N2O2S and molecular weight 314.11 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-propan-2-yloxybenzamide
Also Known As: N-(3-cyano-4,5-dimethylthiophen-2-yl)-4-isopropoxybenzamide, F2590-0087, N-(3-cyano-4,5-dimethylthiophen-2-yl)-4-propan-2-yloxybenzamide, N-(3-cyano-4,5-dimethylthiophen-2-yl)-4-(propan-2-yloxy)benzamide
| Molecular Formula | C17H18N2O2S |
|---|---|
| Molecular Weight | 314.11 g/mol |
| LogP | 4.27612 |
| Topological Polar Surface Area | 62.12 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 314.1089 |
| Heavy Atoms | 22 |
| Complexity | 724.3526 |
Chemical Identifiers
| CAS Number | 896304-46-4 |
|---|---|
| SMILES | CC1=C(SC(=C1C#N)NC(=O)C2=CC=C(C=C2)OC(C)C)C |
Product Overview
N-(3-cyano-4,5-dimethylthiophen-2-yl)-4-isopropoxybenzamide (CAS 896304-46-4), with molecular formula C17H18N2O2S and molecular weight 314.11 g/mol. IUPAC: N-(3-cyano-4,5-dimethylthiophen-2-yl)-4-propan-2-yloxybenzamide.
Chemical Property Profile of N-(3-cyano-4,5-dimethylthiophen-2-yl)-4-isopropoxybenzamide
Property Insights of N-(3-cyano-4,5-dimethylthiophen-2-yl)-4-isopropoxybenzamide
The XLogP value of 4.27612 indicates that N-(3-cyano-4,5-dimethylthiophen-2-yl)-4-isopropoxybenzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.12 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(3-cyano-4,5-dimethylthiophen-2-yl)-4-isopropoxybenzamide. Following Lipinski's Rule of Five, N-(3-cyano-4,5-dimethylthiophen-2-yl)-4-isopropoxybenzamide has 1 hydrogen bond donor(s) and 4 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-4,5-dimethylthiophen-2-yl)-4-isopropoxybenzamide?
The CAS number of N-(3-cyano-4,5-dimethylthiophen-2-yl)-4-isopropoxybenzamide is 896304-46-4.
What is the molecular formula of N-(3-cyano-4,5-dimethylthiophen-2-yl)-4-isopropoxybenzamide?
The molecular formula of N-(3-cyano-4,5-dimethylthiophen-2-yl)-4-isopropoxybenzamide is C17H18N2O2S.
What is the molecular weight of N-(3-cyano-4,5-dimethylthiophen-2-yl)-4-isopropoxybenzamide?
The molecular weight of N-(3-cyano-4,5-dimethylthiophen-2-yl)-4-isopropoxybenzamide is 314.11 g/mol.
Where can I buy N-(3-cyano-4,5-dimethylthiophen-2-yl)-4-isopropoxybenzamide?
You can request a quote for N-(3-cyano-4,5-dimethylthiophen-2-yl)-4-isopropoxybenzamide 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-isopropoxybenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-(3-cyano-4,5-dimethylthiophen-2-yl)-4-isopropoxybenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.