1-(5-Bromo-2,4-dimethoxybenzyl)-4-(4-fluorophenyl)-1,2,3,6-tetrahydropyridine
TL;DR: 1-(5-Bromo-2,4-dimethoxybenzyl)-4-(4-fluorophenyl)-1,2,3,6-tetrahydropyridine (CAS 5412-33-9) is a chemical compound with molecular formula C20H21BrFNO2 and molecular weight 405.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(5-bromo-2,4-dimethoxyphenyl)methyl]-4-(4-fluorophenyl)-3,6-dihydro-2H-pyridine
Also Known As: 1-(5-bromo-2,4-dimethoxybenzyl)-4-(4-fluorophenyl)-1,2,3,6-tetrahydropyridine, 1-[(5-bromo-2,4-dimethoxy-phenyl)methyl]-4-(4-fluorophenyl)-3,6-dihydro-2H-pyridine, 1-[(5-bromo-2,4-dimethoxyphenyl)methyl]-4-(4-fluorophenyl)-3,6-dihydro-2H-pyridine
| Molecular Formula | C20H21BrFNO2 |
|---|---|
| Molecular Weight | 405.07 g/mol |
| LogP | 4.8947 |
| Topological Polar Surface Area | 21.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 405.07397 |
| Heavy Atoms | 25 |
| Complexity | 774.0108 |
Chemical Identifiers
| CAS Number | 5412-33-9 |
|---|---|
| SMILES | COC1=CC(=C(C=C1CN2CCC(=CC2)C3=CC=C(C=C3)F)Br)OC |
Product Overview
1-(5-Bromo-2,4-dimethoxybenzyl)-4-(4-fluorophenyl)-1,2,3,6-tetrahydropyridine (CAS 5412-33-9), with molecular formula C20H21BrFNO2 and molecular weight 405.07 g/mol. IUPAC: 1-[(5-bromo-2,4-dimethoxyphenyl)methyl]-4-(4-fluorophenyl)-3,6-dihydro-2H-pyridine.
Chemical Property Profile of 1-(5-Bromo-2,4-dimethoxybenzyl)-4-(4-fluorophenyl)-1,2,3,6-tetrahydropyridine
Property Insights of 1-(5-Bromo-2,4-dimethoxybenzyl)-4-(4-fluorophenyl)-1,2,3,6-tetrahydropyridine
The XLogP value of 4.8947 indicates that 1-(5-Bromo-2,4-dimethoxybenzyl)-4-(4-fluorophenyl)-1,2,3,6-tetrahydropyridine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 21.7 Ų, 1-(5-Bromo-2,4-dimethoxybenzyl)-4-(4-fluorophenyl)-1,2,3,6-tetrahydropyridine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(5-Bromo-2,4-dimethoxybenzyl)-4-(4-fluorophenyl)-1,2,3,6-tetrahydropyridine has 0 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 1-(5-Bromo-2,4-dimethoxybenzyl)-4-(4-fluorophenyl)-1,2,3,6-tetrahydropyridine?
The CAS number of 1-(5-Bromo-2,4-dimethoxybenzyl)-4-(4-fluorophenyl)-1,2,3,6-tetrahydropyridine is 5412-33-9.
What is the molecular formula of 1-(5-Bromo-2,4-dimethoxybenzyl)-4-(4-fluorophenyl)-1,2,3,6-tetrahydropyridine?
The molecular formula of 1-(5-Bromo-2,4-dimethoxybenzyl)-4-(4-fluorophenyl)-1,2,3,6-tetrahydropyridine is C20H21BrFNO2.
What is the molecular weight of 1-(5-Bromo-2,4-dimethoxybenzyl)-4-(4-fluorophenyl)-1,2,3,6-tetrahydropyridine?
The molecular weight of 1-(5-Bromo-2,4-dimethoxybenzyl)-4-(4-fluorophenyl)-1,2,3,6-tetrahydropyridine is 405.07 g/mol.
Where can I buy 1-(5-Bromo-2,4-dimethoxybenzyl)-4-(4-fluorophenyl)-1,2,3,6-tetrahydropyridine?
You can request a quote for 1-(5-Bromo-2,4-dimethoxybenzyl)-4-(4-fluorophenyl)-1,2,3,6-tetrahydropyridine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(5-Bromo-2,4-dimethoxybenzyl)-4-(4-fluorophenyl)-1,2,3,6-tetrahydropyridine?
Yes, KEHONG BIO provides custom synthesis services for 1-(5-Bromo-2,4-dimethoxybenzyl)-4-(4-fluorophenyl)-1,2,3,6-tetrahydropyridine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.