N-(3-bromo-4-methoxybenzoyl)-N'-(3-chlorophenyl)thiourea
TL;DR: N-(3-bromo-4-methoxybenzoyl)-N'-(3-chlorophenyl)thiourea (CAS 333738-38-8) is a chemical compound with molecular formula C15H12BrClN2O2S and molecular weight 397.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-bromo-N-[(3-chlorophenyl)carbamothioyl]-4-methoxybenzamide
Also Known As: BAS 02819562, N-(3-bromo-4-methoxybenzoyl)-N'-(3-chlorophenyl)thiourea, 3-bromo-N-[(3-chlorophenyl)carbamothioyl]-4-methoxybenzamide, 1-(3-Bromo-4-methoxy-benzoyl)-3-(3-chloro-phenyl)-thiourea, (3-bromo-4-methoxyphenyl)-N-{[(3-chlorophenyl)amino]thioxomethyl}carboxamide
| Molecular Formula | C15H12BrClN2O2S |
|---|---|
| Molecular Weight | 397.95 g/mol |
| LogP | 4.2379 |
| Topological Polar Surface Area | 50.36 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 397.94913 |
| Heavy Atoms | 22 |
| Complexity | 724.43866 |
Chemical Identifiers
| CAS Number | 333738-38-8 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC(=CC=C2)Cl)Br |
Product Overview
N-(3-bromo-4-methoxybenzoyl)-N'-(3-chlorophenyl)thiourea (CAS 333738-38-8), with molecular formula C15H12BrClN2O2S and molecular weight 397.95 g/mol. IUPAC: 3-bromo-N-[(3-chlorophenyl)carbamothioyl]-4-methoxybenzamide.
Chemical Property Profile of N-(3-bromo-4-methoxybenzoyl)-N'-(3-chlorophenyl)thiourea
Property Insights of N-(3-bromo-4-methoxybenzoyl)-N'-(3-chlorophenyl)thiourea
The XLogP value of 4.2379 indicates that N-(3-bromo-4-methoxybenzoyl)-N'-(3-chlorophenyl)thiourea is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.36 Ų, N-(3-bromo-4-methoxybenzoyl)-N'-(3-chlorophenyl)thiourea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(3-bromo-4-methoxybenzoyl)-N'-(3-chlorophenyl)thiourea has 2 hydrogen bond donor(s) and 3 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-bromo-4-methoxybenzoyl)-N'-(3-chlorophenyl)thiourea?
The CAS number of N-(3-bromo-4-methoxybenzoyl)-N'-(3-chlorophenyl)thiourea is 333738-38-8.
What is the molecular formula of N-(3-bromo-4-methoxybenzoyl)-N'-(3-chlorophenyl)thiourea?
The molecular formula of N-(3-bromo-4-methoxybenzoyl)-N'-(3-chlorophenyl)thiourea is C15H12BrClN2O2S.
What is the molecular weight of N-(3-bromo-4-methoxybenzoyl)-N'-(3-chlorophenyl)thiourea?
The molecular weight of N-(3-bromo-4-methoxybenzoyl)-N'-(3-chlorophenyl)thiourea is 397.95 g/mol.
Where can I buy N-(3-bromo-4-methoxybenzoyl)-N'-(3-chlorophenyl)thiourea?
You can request a quote for N-(3-bromo-4-methoxybenzoyl)-N'-(3-chlorophenyl)thiourea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(3-bromo-4-methoxybenzoyl)-N'-(3-chlorophenyl)thiourea?
Yes, KEHONG BIO provides custom synthesis services for N-(3-bromo-4-methoxybenzoyl)-N'-(3-chlorophenyl)thiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.