![5-bromo-N-[(2-fluorophenyl)carbamothioyl]-2-methoxybenzamide structure](/static/products/4454/445427-46-3.webp)
5-bromo-N-[(2-fluorophenyl)carbamothioyl]-2-methoxybenzamide
TL;DR: 5-bromo-N-[(2-fluorophenyl)carbamothioyl]-2-methoxybenzamide (CAS 445427-46-3) is a chemical compound with molecular formula C15H12BrFN2O2S and molecular weight 381.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-bromo-N-[(2-fluorophenyl)carbamothioyl]-2-methoxybenzamide
Also Known As: N-(5-bromo-2-methoxybenzoyl)-N'-(2-fluorophenyl)thiourea, 5-bromo-N-[(2-fluorophenyl)carbamothioyl]-2-methoxybenzamide, AN-648/40682344
| Molecular Formula | C15H12BrFN2O2S |
|---|---|
| Molecular Weight | 381.98 g/mol |
| LogP | 3.7236 |
| Topological Polar Surface Area | 50.36 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 381.9787 |
| Heavy Atoms | 22 |
| Complexity | 724.43866 |
Chemical Identifiers
| CAS Number | 445427-46-3 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)Br)C(=O)NC(=S)NC2=CC=CC=C2F |
Product Overview
5-bromo-N-[(2-fluorophenyl)carbamothioyl]-2-methoxybenzamide (CAS 445427-46-3), with molecular formula C15H12BrFN2O2S and molecular weight 381.98 g/mol. IUPAC: 5-bromo-N-[(2-fluorophenyl)carbamothioyl]-2-methoxybenzamide.
Chemical Property Profile of 5-bromo-N-[(2-fluorophenyl)carbamothioyl]-2-methoxybenzamide
Property Insights of 5-bromo-N-[(2-fluorophenyl)carbamothioyl]-2-methoxybenzamide
The XLogP value of 3.7236 indicates that 5-bromo-N-[(2-fluorophenyl)carbamothioyl]-2-methoxybenzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.36 Ų, 5-bromo-N-[(2-fluorophenyl)carbamothioyl]-2-methoxybenzamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-bromo-N-[(2-fluorophenyl)carbamothioyl]-2-methoxybenzamide 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 5-bromo-N-[(2-fluorophenyl)carbamothioyl]-2-methoxybenzamide?
The CAS number of 5-bromo-N-[(2-fluorophenyl)carbamothioyl]-2-methoxybenzamide is 445427-46-3.
What is the molecular formula of 5-bromo-N-[(2-fluorophenyl)carbamothioyl]-2-methoxybenzamide?
The molecular formula of 5-bromo-N-[(2-fluorophenyl)carbamothioyl]-2-methoxybenzamide is C15H12BrFN2O2S.
What is the molecular weight of 5-bromo-N-[(2-fluorophenyl)carbamothioyl]-2-methoxybenzamide?
The molecular weight of 5-bromo-N-[(2-fluorophenyl)carbamothioyl]-2-methoxybenzamide is 381.98 g/mol.
Where can I buy 5-bromo-N-[(2-fluorophenyl)carbamothioyl]-2-methoxybenzamide?
You can request a quote for 5-bromo-N-[(2-fluorophenyl)carbamothioyl]-2-methoxybenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-bromo-N-[(2-fluorophenyl)carbamothioyl]-2-methoxybenzamide?
Yes, KEHONG BIO provides custom synthesis services for 5-bromo-N-[(2-fluorophenyl)carbamothioyl]-2-methoxybenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.