![3,4,5-trimethoxy-N-[(2-methyl-4-nitrophenyl)carbamothioyl]benzamide structure](/static/products/3352/335214-43-2.webp)
3,4,5-trimethoxy-N-[(2-methyl-4-nitrophenyl)carbamothioyl]benzamide
TL;DR: 3,4,5-trimethoxy-N-[(2-methyl-4-nitrophenyl)carbamothioyl]benzamide (CAS 335214-43-2) is a chemical compound with molecular formula C18H19N3O6S and molecular weight 405.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,4,5-trimethoxy-N-[(2-methyl-4-nitrophenyl)carbamothioyl]benzamide
Also Known As: BAS 02819093, 3,4,5-trimethoxy-N-[(2-methyl-4-nitrophenyl)carbamothioyl]benzamide, 1-(2-Methyl-4-nitro-phenyl)-3-(3,4,5-trimethoxy-benzoyl)-thiourea, N-{4-nitro-2-methylphenyl}-N'-(3,4,5-trimethoxybenzoyl)thiourea, N-{[(2-methyl-4-nitrophenyl)amino]thioxomethyl}(3,4,5-trimethoxyphenyl)carboxa mide
| Molecular Formula | C18H19N3O6S |
|---|---|
| Molecular Weight | 405.10 g/mol |
| LogP | 3.05582 |
| Topological Polar Surface Area | 111.96 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 405.09946 |
| Heavy Atoms | 28 |
| Complexity | 906.5272 |
Chemical Identifiers
| CAS Number | 335214-43-2 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)[N+](=O)[O-])NC(=S)NC(=O)C2=CC(=C(C(=C2)OC)OC)OC |
Product Overview
3,4,5-trimethoxy-N-[(2-methyl-4-nitrophenyl)carbamothioyl]benzamide (CAS 335214-43-2), with molecular formula C18H19N3O6S and molecular weight 405.10 g/mol. IUPAC: 3,4,5-trimethoxy-N-[(2-methyl-4-nitrophenyl)carbamothioyl]benzamide.
Chemical Property Profile of 3,4,5-trimethoxy-N-[(2-methyl-4-nitrophenyl)carbamothioyl]benzamide
Property Insights of 3,4,5-trimethoxy-N-[(2-methyl-4-nitrophenyl)carbamothioyl]benzamide
The XLogP value of 3.05582 indicates that 3,4,5-trimethoxy-N-[(2-methyl-4-nitrophenyl)carbamothioyl]benzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 111.96 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,4,5-trimethoxy-N-[(2-methyl-4-nitrophenyl)carbamothioyl]benzamide. Following Lipinski's Rule of Five, 3,4,5-trimethoxy-N-[(2-methyl-4-nitrophenyl)carbamothioyl]benzamide has 2 hydrogen bond donor(s) and 7 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 3,4,5-trimethoxy-N-[(2-methyl-4-nitrophenyl)carbamothioyl]benzamide?
The CAS number of 3,4,5-trimethoxy-N-[(2-methyl-4-nitrophenyl)carbamothioyl]benzamide is 335214-43-2.
What is the molecular formula of 3,4,5-trimethoxy-N-[(2-methyl-4-nitrophenyl)carbamothioyl]benzamide?
The molecular formula of 3,4,5-trimethoxy-N-[(2-methyl-4-nitrophenyl)carbamothioyl]benzamide is C18H19N3O6S.
What is the molecular weight of 3,4,5-trimethoxy-N-[(2-methyl-4-nitrophenyl)carbamothioyl]benzamide?
The molecular weight of 3,4,5-trimethoxy-N-[(2-methyl-4-nitrophenyl)carbamothioyl]benzamide is 405.10 g/mol.
Where can I buy 3,4,5-trimethoxy-N-[(2-methyl-4-nitrophenyl)carbamothioyl]benzamide?
You can request a quote for 3,4,5-trimethoxy-N-[(2-methyl-4-nitrophenyl)carbamothioyl]benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,4,5-trimethoxy-N-[(2-methyl-4-nitrophenyl)carbamothioyl]benzamide?
Yes, KEHONG BIO provides custom synthesis services for 3,4,5-trimethoxy-N-[(2-methyl-4-nitrophenyl)carbamothioyl]benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.