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N-[benzyl(methyl)carbamothioyl]-3,4,5-trimethoxybenzamide
TL;DR: N-[benzyl(methyl)carbamothioyl]-3,4,5-trimethoxybenzamide (CAS 649734-24-7) is a chemical compound with molecular formula C19H22N2O4S and molecular weight 374.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[benzyl(methyl)carbamothioyl]-3,4,5-trimethoxybenzamide
Also Known As: N-[benzyl(methyl)carbamothioyl]-3,4,5-trimethoxybenzamide, AN-329/41769879, N-{[benzyl(methyl)amino]carbonothioyl}-3,4,5-trimethoxybenzamide, N-benzyl-N-methyl-N'-(3,4,5-trimethoxybenzoyl)thiourea, N-[benzyl(methyl)thiocarbamoyl]-3,4,5-trimethoxy-benzamide
| Molecular Formula | C19H22N2O4S |
|---|---|
| Molecular Weight | 374.13 g/mol |
| LogP | 2.8591 |
| Topological Polar Surface Area | 60.03 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 374.13004 |
| Heavy Atoms | 26 |
| Complexity | 755.35864 |
Chemical Identifiers
| CAS Number | 649734-24-7 |
|---|---|
| SMILES | CN(CC1=CC=CC=C1)C(=S)NC(=O)C2=CC(=C(C(=C2)OC)OC)OC |
Product Overview
N-[benzyl(methyl)carbamothioyl]-3,4,5-trimethoxybenzamide (CAS 649734-24-7), with molecular formula C19H22N2O4S and molecular weight 374.13 g/mol. IUPAC: N-[benzyl(methyl)carbamothioyl]-3,4,5-trimethoxybenzamide.
Chemical Property Profile of N-[benzyl(methyl)carbamothioyl]-3,4,5-trimethoxybenzamide
Property Insights of N-[benzyl(methyl)carbamothioyl]-3,4,5-trimethoxybenzamide
The XLogP value of 2.8591 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-[benzyl(methyl)carbamothioyl]-3,4,5-trimethoxybenzamide. The TPSA of 60.03 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[benzyl(methyl)carbamothioyl]-3,4,5-trimethoxybenzamide. Following Lipinski's Rule of Five, N-[benzyl(methyl)carbamothioyl]-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-[benzyl(methyl)carbamothioyl]-3,4,5-trimethoxybenzamide?
The CAS number of N-[benzyl(methyl)carbamothioyl]-3,4,5-trimethoxybenzamide is 649734-24-7.
What is the molecular formula of N-[benzyl(methyl)carbamothioyl]-3,4,5-trimethoxybenzamide?
The molecular formula of N-[benzyl(methyl)carbamothioyl]-3,4,5-trimethoxybenzamide is C19H22N2O4S.
What is the molecular weight of N-[benzyl(methyl)carbamothioyl]-3,4,5-trimethoxybenzamide?
The molecular weight of N-[benzyl(methyl)carbamothioyl]-3,4,5-trimethoxybenzamide is 374.13 g/mol.
Where can I buy N-[benzyl(methyl)carbamothioyl]-3,4,5-trimethoxybenzamide?
You can request a quote for N-[benzyl(methyl)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-[benzyl(methyl)carbamothioyl]-3,4,5-trimethoxybenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-[benzyl(methyl)carbamothioyl]-3,4,5-trimethoxybenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.