5-bromo-N-((2-((4-chlorobenzyl)oxy)ethyl)carbamothioyl)nicotinamide
TL;DR: 5-bromo-N-((2-((4-chlorobenzyl)oxy)ethyl)carbamothioyl)nicotinamide (CAS 429652-96-0) is a chemical compound with molecular formula C16H15BrClN3O2S and molecular weight 426.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-bromo-N-[2-[(4-chlorophenyl)methoxy]ethylcarbamothioyl]pyridine-3-carboxamide
Also Known As: 5-bromo-N-((2-((4-chlorobenzyl)oxy)ethyl)carbamothioyl)nicotinamide, AM-879/40736034, F0915-7886, 3-(5-bromopyridine-3-carbonyl)-1-{2-[(4-chlorophenyl)methoxy]ethyl}thiourea, 5-bromo-N-[2-[(4-chlorophenyl)methoxy]ethylcarbamothioyl]pyridine-3-carboxamide
| Molecular Formula | C16H15BrClN3O2S |
|---|---|
| Molecular Weight | 426.98 g/mol |
| LogP | 3.3186 |
| Topological Polar Surface Area | 63.25 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 426.97568 |
| Heavy Atoms | 24 |
| Complexity | 712.72363 |
Chemical Identifiers
| CAS Number | 429652-96-0 |
|---|---|
| SMILES | C1=CC(=CC=C1COCCNC(=S)NC(=O)C2=CC(=CN=C2)Br)Cl |
Product Overview
5-bromo-N-((2-((4-chlorobenzyl)oxy)ethyl)carbamothioyl)nicotinamide (CAS 429652-96-0), with molecular formula C16H15BrClN3O2S and molecular weight 426.98 g/mol. IUPAC: 5-bromo-N-[2-[(4-chlorophenyl)methoxy]ethylcarbamothioyl]pyridine-3-carboxamide.
Chemical Property Profile of 5-bromo-N-((2-((4-chlorobenzyl)oxy)ethyl)carbamothioyl)nicotinamide
Property Insights of 5-bromo-N-((2-((4-chlorobenzyl)oxy)ethyl)carbamothioyl)nicotinamide
The XLogP value of 3.3186 indicates that 5-bromo-N-((2-((4-chlorobenzyl)oxy)ethyl)carbamothioyl)nicotinamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.25 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-bromo-N-((2-((4-chlorobenzyl)oxy)ethyl)carbamothioyl)nicotinamide. Following Lipinski's Rule of Five, 5-bromo-N-((2-((4-chlorobenzyl)oxy)ethyl)carbamothioyl)nicotinamide 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 5-bromo-N-((2-((4-chlorobenzyl)oxy)ethyl)carbamothioyl)nicotinamide?
The CAS number of 5-bromo-N-((2-((4-chlorobenzyl)oxy)ethyl)carbamothioyl)nicotinamide is 429652-96-0.
What is the molecular formula of 5-bromo-N-((2-((4-chlorobenzyl)oxy)ethyl)carbamothioyl)nicotinamide?
The molecular formula of 5-bromo-N-((2-((4-chlorobenzyl)oxy)ethyl)carbamothioyl)nicotinamide is C16H15BrClN3O2S.
What is the molecular weight of 5-bromo-N-((2-((4-chlorobenzyl)oxy)ethyl)carbamothioyl)nicotinamide?
The molecular weight of 5-bromo-N-((2-((4-chlorobenzyl)oxy)ethyl)carbamothioyl)nicotinamide is 426.98 g/mol.
Where can I buy 5-bromo-N-((2-((4-chlorobenzyl)oxy)ethyl)carbamothioyl)nicotinamide?
You can request a quote for 5-bromo-N-((2-((4-chlorobenzyl)oxy)ethyl)carbamothioyl)nicotinamide 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-((4-chlorobenzyl)oxy)ethyl)carbamothioyl)nicotinamide?
Yes, KEHONG BIO provides custom synthesis services for 5-bromo-N-((2-((4-chlorobenzyl)oxy)ethyl)carbamothioyl)nicotinamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.