![N-[(4-cyanophenyl)carbamothioyl]-3,4,5-trimethoxybenzamide structure](/static/products/6429/642963-82-4.webp)
N-[(4-cyanophenyl)carbamothioyl]-3,4,5-trimethoxybenzamide
TL;DR: N-[(4-cyanophenyl)carbamothioyl]-3,4,5-trimethoxybenzamide (CAS 642963-82-4) is a chemical compound with molecular formula C18H17N3O4S and molecular weight 371.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(4-cyanophenyl)carbamothioyl]-3,4,5-trimethoxybenzamide
Also Known As: N-[(4-cyanophenyl)carbamothioyl]-3,4,5-trimethoxybenzamide, AN-329/41574018, N-(4-cyanophenyl)-N'-(3,4,5-trimethoxybenzoyl)thiourea, N-{[(4-cyanophenyl)amino]carbonothioyl}-3,4,5-trimethoxybenzamide
| Molecular Formula | C18H17N3O4S |
|---|---|
| Molecular Weight | 371.09 g/mol |
| LogP | 2.71088 |
| Topological Polar Surface Area | 92.61 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 371.09396 |
| Heavy Atoms | 26 |
| Complexity | 834.7253 |
Chemical Identifiers
| CAS Number | 642963-82-4 |
|---|---|
| SMILES | COC1=CC(=CC(=C1OC)OC)C(=O)NC(=S)NC2=CC=C(C=C2)C#N |
Product Overview
N-[(4-cyanophenyl)carbamothioyl]-3,4,5-trimethoxybenzamide (CAS 642963-82-4), with molecular formula C18H17N3O4S and molecular weight 371.09 g/mol. IUPAC: N-[(4-cyanophenyl)carbamothioyl]-3,4,5-trimethoxybenzamide.
Chemical Property Profile of N-[(4-cyanophenyl)carbamothioyl]-3,4,5-trimethoxybenzamide
Property Insights of N-[(4-cyanophenyl)carbamothioyl]-3,4,5-trimethoxybenzamide
The XLogP value of 2.71088 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-[(4-cyanophenyl)carbamothioyl]-3,4,5-trimethoxybenzamide. The TPSA of 92.61 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[(4-cyanophenyl)carbamothioyl]-3,4,5-trimethoxybenzamide. Following Lipinski's Rule of Five, N-[(4-cyanophenyl)carbamothioyl]-3,4,5-trimethoxybenzamide has 2 hydrogen bond donor(s) and 6 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-[(4-cyanophenyl)carbamothioyl]-3,4,5-trimethoxybenzamide?
The CAS number of N-[(4-cyanophenyl)carbamothioyl]-3,4,5-trimethoxybenzamide is 642963-82-4.
What is the molecular formula of N-[(4-cyanophenyl)carbamothioyl]-3,4,5-trimethoxybenzamide?
The molecular formula of N-[(4-cyanophenyl)carbamothioyl]-3,4,5-trimethoxybenzamide is C18H17N3O4S.
What is the molecular weight of N-[(4-cyanophenyl)carbamothioyl]-3,4,5-trimethoxybenzamide?
The molecular weight of N-[(4-cyanophenyl)carbamothioyl]-3,4,5-trimethoxybenzamide is 371.09 g/mol.
Where can I buy N-[(4-cyanophenyl)carbamothioyl]-3,4,5-trimethoxybenzamide?
You can request a quote for N-[(4-cyanophenyl)carbamothioyl]-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-[(4-cyanophenyl)carbamothioyl]-3,4,5-trimethoxybenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-[(4-cyanophenyl)carbamothioyl]-3,4,5-trimethoxybenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.