N-(azepane-1-carbothioyl)-3,4,5-trimethoxybenzamide
TL;DR: N-(azepane-1-carbothioyl)-3,4,5-trimethoxybenzamide (CAS 642964-36-1) is a chemical compound with molecular formula C17H24N2O4S and molecular weight 352.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(azepane-1-carbothioyl)-3,4,5-trimethoxybenzamide
Also Known As: N-(azepane-1-carbothioyl)-3,4,5-trimethoxybenzamide, N-(1-azepanylcarbothioyl)-3,4,5-trimethoxybenzamide, N-(1-azepanyl)(thiocarbonyl)3,4,5-trianisamide, N-(1-azepanylcarbonothioyl)-3,4,5-trimethoxybenzamide, AN-329/41574033
| Molecular Formula | C17H24N2O4S |
|---|---|
| Molecular Weight | 352.15 g/mol |
| LogP | 2.6031 |
| Topological Polar Surface Area | 60.03 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 352.1457 |
| Heavy Atoms | 24 |
| Complexity | 573.2485 |
Chemical Identifiers
| CAS Number | 642964-36-1 |
|---|---|
| SMILES | COC1=CC(=CC(=C1OC)OC)C(=O)NC(=S)N2CCCCCC2 |
Product Overview
N-(azepane-1-carbothioyl)-3,4,5-trimethoxybenzamide (CAS 642964-36-1), with molecular formula C17H24N2O4S and molecular weight 352.15 g/mol. IUPAC: N-(azepane-1-carbothioyl)-3,4,5-trimethoxybenzamide.
Chemical Property Profile of N-(azepane-1-carbothioyl)-3,4,5-trimethoxybenzamide
Property Insights of N-(azepane-1-carbothioyl)-3,4,5-trimethoxybenzamide
The XLogP value of 2.6031 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(azepane-1-carbothioyl)-3,4,5-trimethoxybenzamide. The TPSA of 60.03 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(azepane-1-carbothioyl)-3,4,5-trimethoxybenzamide. Following Lipinski's Rule of Five, N-(azepane-1-carbothioyl)-3,4,5-trimethoxybenzamide 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-(azepane-1-carbothioyl)-3,4,5-trimethoxybenzamide?
The CAS number of N-(azepane-1-carbothioyl)-3,4,5-trimethoxybenzamide is 642964-36-1.
What is the molecular formula of N-(azepane-1-carbothioyl)-3,4,5-trimethoxybenzamide?
The molecular formula of N-(azepane-1-carbothioyl)-3,4,5-trimethoxybenzamide is C17H24N2O4S.
What is the molecular weight of N-(azepane-1-carbothioyl)-3,4,5-trimethoxybenzamide?
The molecular weight of N-(azepane-1-carbothioyl)-3,4,5-trimethoxybenzamide is 352.15 g/mol.
Where can I buy N-(azepane-1-carbothioyl)-3,4,5-trimethoxybenzamide?
You can request a quote for N-(azepane-1-carbothioyl)-3,4,5-trimethoxybenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(azepane-1-carbothioyl)-3,4,5-trimethoxybenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-(azepane-1-carbothioyl)-3,4,5-trimethoxybenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.