![3-bromo-4-methoxy-N-[(4-nitrophenyl)carbamothioyl]benzamide structure](/static/products/3337/333738-41-3.webp)
3-bromo-4-methoxy-N-[(4-nitrophenyl)carbamothioyl]benzamide
TL;DR: 3-bromo-4-methoxy-N-[(4-nitrophenyl)carbamothioyl]benzamide (CAS 333738-41-3) is a chemical compound with molecular formula C15H12BrN3O4S and molecular weight 408.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-bromo-4-methoxy-N-[(4-nitrophenyl)carbamothioyl]benzamide
Also Known As: BAS 02819572, 3-bromo-4-methoxy-N-[(4-nitrophenyl)carbamothioyl]benzamide, N-(3-bromo-4-methoxybenzoyl)-N'-{4-nitrophenyl}thiourea, 1-(3-Bromo-4-methoxy-benzoyl)-3-(4-nitro-phenyl)-thiourea, (3-bromo-4-methoxyphenyl)-N-{[(4-nitrophenyl)amino]thioxomethyl}carboxamide
| Molecular Formula | C15H12BrN3O4S |
|---|---|
| Molecular Weight | 408.97 g/mol |
| LogP | 3.4927 |
| Topological Polar Surface Area | 93.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 408.97318 |
| Heavy Atoms | 24 |
| Complexity | 795.8062 |
Chemical Identifiers
| CAS Number | 333738-41-3 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)[N+](=O)[O-])Br |
Product Overview
3-bromo-4-methoxy-N-[(4-nitrophenyl)carbamothioyl]benzamide (CAS 333738-41-3), with molecular formula C15H12BrN3O4S and molecular weight 408.97 g/mol. IUPAC: 3-bromo-4-methoxy-N-[(4-nitrophenyl)carbamothioyl]benzamide.
Chemical Property Profile of 3-bromo-4-methoxy-N-[(4-nitrophenyl)carbamothioyl]benzamide
Property Insights of 3-bromo-4-methoxy-N-[(4-nitrophenyl)carbamothioyl]benzamide
The XLogP value of 3.4927 indicates that 3-bromo-4-methoxy-N-[(4-nitrophenyl)carbamothioyl]benzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 93.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-bromo-4-methoxy-N-[(4-nitrophenyl)carbamothioyl]benzamide. Following Lipinski's Rule of Five, 3-bromo-4-methoxy-N-[(4-nitrophenyl)carbamothioyl]benzamide has 2 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 3-bromo-4-methoxy-N-[(4-nitrophenyl)carbamothioyl]benzamide?
The CAS number of 3-bromo-4-methoxy-N-[(4-nitrophenyl)carbamothioyl]benzamide is 333738-41-3.
What is the molecular formula of 3-bromo-4-methoxy-N-[(4-nitrophenyl)carbamothioyl]benzamide?
The molecular formula of 3-bromo-4-methoxy-N-[(4-nitrophenyl)carbamothioyl]benzamide is C15H12BrN3O4S.
What is the molecular weight of 3-bromo-4-methoxy-N-[(4-nitrophenyl)carbamothioyl]benzamide?
The molecular weight of 3-bromo-4-methoxy-N-[(4-nitrophenyl)carbamothioyl]benzamide is 408.97 g/mol.
Where can I buy 3-bromo-4-methoxy-N-[(4-nitrophenyl)carbamothioyl]benzamide?
You can request a quote for 3-bromo-4-methoxy-N-[(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-bromo-4-methoxy-N-[(4-nitrophenyl)carbamothioyl]benzamide?
Yes, KEHONG BIO provides custom synthesis services for 3-bromo-4-methoxy-N-[(4-nitrophenyl)carbamothioyl]benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.