1-Methyl-4-phenyl-1,2,3,6-tetrahydropyridin-3-yl acetate--hydrogen bromide (1/1)
TL;DR: 1-Methyl-4-phenyl-1,2,3,6-tetrahydropyridin-3-yl acetate--hydrogen bromide (1/1) (CAS 14164-57-9) is a chemical compound with molecular formula C14H18BrNO2 and molecular weight 311.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1-methyl-4-phenyl-3,6-dihydro-2H-pyridin-3-yl) acetate;hydrobromide
Also Known As: 1-Methyl-4-phenyl-1,2,3,6-tetrahydro-3-pyridinol acetate hydrobromide, 3-Pyridinol, 1,2,3,6-tetrahydro-1-methyl-4-phenyl-, acetate, hydrobromide, 1-Methyl-4-phenyl-1,2,3,6-tetrahydropyridin-3-yl acetate--hydrogen bromide (1/1), (1-methyl-4-phenyl-3,6-dihydro-2H-pyridin-3-yl) acetate hydrobromide, RefChem:1055813
| Molecular Formula | C14H18BrNO2 |
|---|---|
| Molecular Weight | 311.05 g/mol |
| LogP | 2.525 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 311.0521 |
| Heavy Atoms | 18 |
| Complexity | 305.0 |
Chemical Identifiers
| CAS Number | 14164-57-9 |
|---|---|
| SMILES | CC(=O)OC1CN(CC=C1C2=CC=CC=C2)C.Br |
| InChIKey | QJMIHNGRZNEILW-UHFFFAOYSA-N |
Product Overview
1-Methyl-4-phenyl-1,2,3,6-tetrahydropyridin-3-yl acetate--hydrogen bromide (1/1) (CAS 14164-57-9), with molecular formula C14H18BrNO2 and molecular weight 311.05 g/mol. IUPAC: (1-methyl-4-phenyl-3,6-dihydro-2H-pyridin-3-yl) acetate;hydrobromide.
Chemical Property Profile of 1-Methyl-4-phenyl-1,2,3,6-tetrahydropyridin-3-yl acetate--hydrogen bromide (1/1)
Property Insights of 1-Methyl-4-phenyl-1,2,3,6-tetrahydropyridin-3-yl acetate--hydrogen bromide (1/1)
The XLogP value of 2.525 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Methyl-4-phenyl-1,2,3,6-tetrahydropyridin-3-yl acetate--hydrogen bromide (1/1). With a topological polar surface area (TPSA) of 29.5 Ų, 1-Methyl-4-phenyl-1,2,3,6-tetrahydropyridin-3-yl acetate--hydrogen bromide (1/1) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Methyl-4-phenyl-1,2,3,6-tetrahydropyridin-3-yl acetate--hydrogen bromide (1/1) has 1 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-Methyl-4-phenyl-1,2,3,6-tetrahydropyridin-3-yl acetate--hydrogen bromide (1/1)?
The CAS number of 1-Methyl-4-phenyl-1,2,3,6-tetrahydropyridin-3-yl acetate--hydrogen bromide (1/1) is 14164-57-9.
What is the molecular formula of 1-Methyl-4-phenyl-1,2,3,6-tetrahydropyridin-3-yl acetate--hydrogen bromide (1/1)?
The molecular formula of 1-Methyl-4-phenyl-1,2,3,6-tetrahydropyridin-3-yl acetate--hydrogen bromide (1/1) is C14H18BrNO2.
What is the molecular weight of 1-Methyl-4-phenyl-1,2,3,6-tetrahydropyridin-3-yl acetate--hydrogen bromide (1/1)?
The molecular weight of 1-Methyl-4-phenyl-1,2,3,6-tetrahydropyridin-3-yl acetate--hydrogen bromide (1/1) is 311.05 g/mol.
Where can I buy 1-Methyl-4-phenyl-1,2,3,6-tetrahydropyridin-3-yl acetate--hydrogen bromide (1/1)?
You can request a quote for 1-Methyl-4-phenyl-1,2,3,6-tetrahydropyridin-3-yl acetate--hydrogen bromide (1/1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Methyl-4-phenyl-1,2,3,6-tetrahydropyridin-3-yl acetate--hydrogen bromide (1/1)?
Yes, KEHONG BIO provides custom synthesis services for 1-Methyl-4-phenyl-1,2,3,6-tetrahydropyridin-3-yl acetate--hydrogen bromide (1/1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.