N-[(3-acetylphenyl)carbamothioyl]-3-bromo-4-ethoxybenzamide
TL;DR: N-[(3-acetylphenyl)carbamothioyl]-3-bromo-4-ethoxybenzamide (CAS 364623-34-7) is a chemical compound with molecular formula C18H17BrN2O3S and molecular weight 420.01 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-ethoxybenzamide
Also Known As: N-[(3-acetylphenyl)carbamothioyl]-3-bromo-4-ethoxybenzamide, AB00108528-01, 1-(3-ACETYLPHENYL)-3-(3-BROMO-4-ETHOXYBENZOYL)THIOUREA, N-{[(3-acetylphenyl)amino]thioxomethyl}(3-bromo-4-ethoxyphenyl)carboxamide
| Molecular Formula | C18H17BrN2O3S |
|---|---|
| Molecular Weight | 420.01 g/mol |
| LogP | 4.1772 |
| Topological Polar Surface Area | 67.43 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 420.01434 |
| Heavy Atoms | 25 |
| Complexity | 823.7185 |
Chemical Identifiers
| CAS Number | 364623-34-7 |
|---|---|
| SMILES | CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=CC(=C2)C(=O)C)Br |
Product Overview
N-[(3-acetylphenyl)carbamothioyl]-3-bromo-4-ethoxybenzamide (CAS 364623-34-7), with molecular formula C18H17BrN2O3S and molecular weight 420.01 g/mol. IUPAC: N-[(3-acetylphenyl)carbamothioyl]-3-bromo-4-ethoxybenzamide.
Chemical Property Profile of N-[(3-acetylphenyl)carbamothioyl]-3-bromo-4-ethoxybenzamide
Property Insights of N-[(3-acetylphenyl)carbamothioyl]-3-bromo-4-ethoxybenzamide
The XLogP value of 4.1772 indicates that N-[(3-acetylphenyl)carbamothioyl]-3-bromo-4-ethoxybenzamide 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-ethoxybenzamide. Following Lipinski's Rule of Five, N-[(3-acetylphenyl)carbamothioyl]-3-bromo-4-ethoxybenzamide 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-ethoxybenzamide?
The CAS number of N-[(3-acetylphenyl)carbamothioyl]-3-bromo-4-ethoxybenzamide is 364623-34-7.
What is the molecular formula of N-[(3-acetylphenyl)carbamothioyl]-3-bromo-4-ethoxybenzamide?
The molecular formula of N-[(3-acetylphenyl)carbamothioyl]-3-bromo-4-ethoxybenzamide is C18H17BrN2O3S.
What is the molecular weight of N-[(3-acetylphenyl)carbamothioyl]-3-bromo-4-ethoxybenzamide?
The molecular weight of N-[(3-acetylphenyl)carbamothioyl]-3-bromo-4-ethoxybenzamide is 420.01 g/mol.
Where can I buy N-[(3-acetylphenyl)carbamothioyl]-3-bromo-4-ethoxybenzamide?
You can request a quote for N-[(3-acetylphenyl)carbamothioyl]-3-bromo-4-ethoxybenzamide 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-ethoxybenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-[(3-acetylphenyl)carbamothioyl]-3-bromo-4-ethoxybenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.