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N-[(3-acetylphenyl)carbamothioyl]-3-bromo-4-methoxybenzamide
TL;DR: N-[(3-acetylphenyl)carbamothioyl]-3-bromo-4-methoxybenzamide (CAS 333738-46-8) is a chemical compound with molecular formula C17H15BrN2O3S and molecular weight 406.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(3-acetylphenyl)carbamothioyl]-3-bromo-4-methoxybenzamide
Also Known As: BAS 02819584, N-[(3-acetylphenyl)carbamothioyl]-3-bromo-4-methoxybenzamide, N-(3-acetylphenyl)-N'-(3-bromo-4-methoxybenzoyl)thiourea, 1-(3-Acetyl-phenyl)-3-(3-bromo-4-methoxy-benzoyl)-thiourea, N-{[(3-acetylphenyl)amino]thioxomethyl}(3-bromo-4-methoxyphenyl)carboxamide
| Molecular Formula | C17H15BrN2O3S |
|---|---|
| Molecular Weight | 406.00 g/mol |
| LogP | 3.7871 |
| Topological Polar Surface Area | 67.43 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 405.9987 |
| Heavy Atoms | 24 |
| Complexity | 808.1727 |
Chemical Identifiers
| CAS Number | 333738-46-8 |
|---|---|
| SMILES | CC(=O)C1=CC(=CC=C1)NC(=S)NC(=O)C2=CC(=C(C=C2)OC)Br |
Product Overview
N-[(3-acetylphenyl)carbamothioyl]-3-bromo-4-methoxybenzamide (CAS 333738-46-8), with molecular formula C17H15BrN2O3S and molecular weight 406.00 g/mol. IUPAC: N-[(3-acetylphenyl)carbamothioyl]-3-bromo-4-methoxybenzamide.
Chemical Property Profile of N-[(3-acetylphenyl)carbamothioyl]-3-bromo-4-methoxybenzamide
Property Insights of N-[(3-acetylphenyl)carbamothioyl]-3-bromo-4-methoxybenzamide
The XLogP value of 3.7871 indicates that N-[(3-acetylphenyl)carbamothioyl]-3-bromo-4-methoxybenzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.43 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[(3-acetylphenyl)carbamothioyl]-3-bromo-4-methoxybenzamide. Following Lipinski's Rule of Five, N-[(3-acetylphenyl)carbamothioyl]-3-bromo-4-methoxybenzamide has 2 hydrogen bond donor(s) and 4 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-[(3-acetylphenyl)carbamothioyl]-3-bromo-4-methoxybenzamide?
The CAS number of N-[(3-acetylphenyl)carbamothioyl]-3-bromo-4-methoxybenzamide is 333738-46-8.
What is the molecular formula of N-[(3-acetylphenyl)carbamothioyl]-3-bromo-4-methoxybenzamide?
The molecular formula of N-[(3-acetylphenyl)carbamothioyl]-3-bromo-4-methoxybenzamide is C17H15BrN2O3S.
What is the molecular weight of N-[(3-acetylphenyl)carbamothioyl]-3-bromo-4-methoxybenzamide?
The molecular weight of N-[(3-acetylphenyl)carbamothioyl]-3-bromo-4-methoxybenzamide is 406.00 g/mol.
Where can I buy N-[(3-acetylphenyl)carbamothioyl]-3-bromo-4-methoxybenzamide?
You can request a quote for N-[(3-acetylphenyl)carbamothioyl]-3-bromo-4-methoxybenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[(3-acetylphenyl)carbamothioyl]-3-bromo-4-methoxybenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-[(3-acetylphenyl)carbamothioyl]-3-bromo-4-methoxybenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.