![N-[(4-bromo-2,6-dimethylphenyl)carbamothioyl]-4-methoxy-3-nitrobenzamide structure](/static/products/3337/333739-32-5.webp)
N-[(4-bromo-2,6-dimethylphenyl)carbamothioyl]-4-methoxy-3-nitrobenzamide
TL;DR: N-[(4-bromo-2,6-dimethylphenyl)carbamothioyl]-4-methoxy-3-nitrobenzamide (CAS 333739-32-5) is a chemical compound with molecular formula C17H16BrN3O4S and molecular weight 437.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(4-bromo-2,6-dimethylphenyl)carbamothioyl]-4-methoxy-3-nitrobenzamide
Also Known As: BAS 02820057, N-[(4-bromo-2,6-dimethylphenyl)carbamothioyl]-4-methoxy-3-nitrobenzamide, 1-(4-Bromo-2,6-dimethyl-phenyl)-3-(4-methoxy-3-nitro-benzoyl)-thiourea, N-(4-bromo-2,6-dimethylphenyl)-N'-{3-nitro-4-methoxybenzoyl}thiourea, N-{[(4-bromo-2,6-dimethylphenyl)amino]thioxomethyl}(4-methoxy-3-nitrophenyl)ca rboxamide
| Molecular Formula | C17H16BrN3O4S |
|---|---|
| Molecular Weight | 437.00 g/mol |
| LogP | 4.10954 |
| Topological Polar Surface Area | 93.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 437.0045 |
| Heavy Atoms | 26 |
| Complexity | 878.567 |
Chemical Identifiers
| CAS Number | 333739-32-5 |
|---|---|
| SMILES | CC1=CC(=CC(=C1NC(=S)NC(=O)C2=CC(=C(C=C2)OC)[N+](=O)[O-])C)Br |
Product Overview
N-[(4-bromo-2,6-dimethylphenyl)carbamothioyl]-4-methoxy-3-nitrobenzamide (CAS 333739-32-5), with molecular formula C17H16BrN3O4S and molecular weight 437.00 g/mol. IUPAC: N-[(4-bromo-2,6-dimethylphenyl)carbamothioyl]-4-methoxy-3-nitrobenzamide.
Chemical Property Profile of N-[(4-bromo-2,6-dimethylphenyl)carbamothioyl]-4-methoxy-3-nitrobenzamide
Property Insights of N-[(4-bromo-2,6-dimethylphenyl)carbamothioyl]-4-methoxy-3-nitrobenzamide
The XLogP value of 4.10954 indicates that N-[(4-bromo-2,6-dimethylphenyl)carbamothioyl]-4-methoxy-3-nitrobenzamide 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 N-[(4-bromo-2,6-dimethylphenyl)carbamothioyl]-4-methoxy-3-nitrobenzamide. Following Lipinski's Rule of Five, N-[(4-bromo-2,6-dimethylphenyl)carbamothioyl]-4-methoxy-3-nitrobenzamide 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 N-[(4-bromo-2,6-dimethylphenyl)carbamothioyl]-4-methoxy-3-nitrobenzamide?
The CAS number of N-[(4-bromo-2,6-dimethylphenyl)carbamothioyl]-4-methoxy-3-nitrobenzamide is 333739-32-5.
What is the molecular formula of N-[(4-bromo-2,6-dimethylphenyl)carbamothioyl]-4-methoxy-3-nitrobenzamide?
The molecular formula of N-[(4-bromo-2,6-dimethylphenyl)carbamothioyl]-4-methoxy-3-nitrobenzamide is C17H16BrN3O4S.
What is the molecular weight of N-[(4-bromo-2,6-dimethylphenyl)carbamothioyl]-4-methoxy-3-nitrobenzamide?
The molecular weight of N-[(4-bromo-2,6-dimethylphenyl)carbamothioyl]-4-methoxy-3-nitrobenzamide is 437.00 g/mol.
Where can I buy N-[(4-bromo-2,6-dimethylphenyl)carbamothioyl]-4-methoxy-3-nitrobenzamide?
You can request a quote for N-[(4-bromo-2,6-dimethylphenyl)carbamothioyl]-4-methoxy-3-nitrobenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[(4-bromo-2,6-dimethylphenyl)carbamothioyl]-4-methoxy-3-nitrobenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-[(4-bromo-2,6-dimethylphenyl)carbamothioyl]-4-methoxy-3-nitrobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.