3-bromo-1-methyl-4-phenyl-3,6-dihydro-2H-pyridine
TL;DR: 3-bromo-1-methyl-4-phenyl-3,6-dihydro-2H-pyridine (CAS 14164-47-7) is a chemical compound with molecular formula C12H14BrN and molecular weight 251.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-bromo-1-methyl-4-phenyl-3,6-dihydro-2H-pyridine
Also Known As: 3-bromo-1-methyl-4-phenyl-1,2,3,6-tetrahydro-pyridine, 3-bromo-1-methyl-4-phenyl-3,6-dihydro-2H-pyridine
| Molecular Formula | C12H14BrN |
|---|---|
| Molecular Weight | 251.03 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 3.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 251.03096 |
| Heavy Atoms | 14 |
| Complexity | 218.0 |
Chemical Identifiers
| CAS Number | 14164-47-7 |
|---|---|
| SMILES | CN1CC=C(C(C1)Br)C2=CC=CC=C2 |
| InChIKey | ZCVONYFMHZNHRY-UHFFFAOYSA-N |
Product Overview
3-bromo-1-methyl-4-phenyl-3,6-dihydro-2H-pyridine (CAS 14164-47-7), with molecular formula C12H14BrN and molecular weight 251.03 g/mol. IUPAC: 3-bromo-1-methyl-4-phenyl-3,6-dihydro-2H-pyridine.
Chemical Property Profile of 3-bromo-1-methyl-4-phenyl-3,6-dihydro-2H-pyridine
Property Insights of 3-bromo-1-methyl-4-phenyl-3,6-dihydro-2H-pyridine
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-bromo-1-methyl-4-phenyl-3,6-dihydro-2H-pyridine. With a topological polar surface area (TPSA) of 3.2 Ų, 3-bromo-1-methyl-4-phenyl-3,6-dihydro-2H-pyridine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-bromo-1-methyl-4-phenyl-3,6-dihydro-2H-pyridine has 0 hydrogen bond donor(s) and 1 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 3-bromo-1-methyl-4-phenyl-3,6-dihydro-2H-pyridine?
The CAS number of 3-bromo-1-methyl-4-phenyl-3,6-dihydro-2H-pyridine is 14164-47-7.
What is the molecular formula of 3-bromo-1-methyl-4-phenyl-3,6-dihydro-2H-pyridine?
The molecular formula of 3-bromo-1-methyl-4-phenyl-3,6-dihydro-2H-pyridine is C12H14BrN.
What is the molecular weight of 3-bromo-1-methyl-4-phenyl-3,6-dihydro-2H-pyridine?
The molecular weight of 3-bromo-1-methyl-4-phenyl-3,6-dihydro-2H-pyridine is 251.03 g/mol.
Where can I buy 3-bromo-1-methyl-4-phenyl-3,6-dihydro-2H-pyridine?
You can request a quote for 3-bromo-1-methyl-4-phenyl-3,6-dihydro-2H-pyridine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-bromo-1-methyl-4-phenyl-3,6-dihydro-2H-pyridine?
Yes, KEHONG BIO provides custom synthesis services for 3-bromo-1-methyl-4-phenyl-3,6-dihydro-2H-pyridine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.