1'-(4-Ethoxybenzyl)-3-methyl-1,4'-bipiperidine oxalate
TL;DR: 1'-(4-Ethoxybenzyl)-3-methyl-1,4'-bipiperidine oxalate (CAS 1048638-92-1) is a chemical compound with molecular formula C22H34N2O5 and molecular weight 406.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(4-ethoxyphenyl)methyl]-4-(3-methylpiperidin-1-yl)piperidine;oxalic acid
Also Known As: 1'-(4-ethoxybenzyl)-3-methyl-1,4'-bipiperidine oxalate, 1-[(4-ethoxyphenyl)methyl]-4-(3-methylpiperidin-1-yl)piperidine; oxalic acid, IUPAC: 1-[1-[(4-ethoxyphenyl)methyl]-4-piperidyl]-3-methyl-piperidine; Oxalic Acid
| Molecular Formula | C22H34N2O5 |
|---|---|
| Molecular Weight | 406.25 g/mol |
| LogP | 2.9372 |
| Topological Polar Surface Area | 90.31 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 406.24677 |
| Heavy Atoms | 29 |
| Complexity | 629.10767 |
Chemical Identifiers
| CAS Number | 1048638-92-1 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)CN2CCC(CC2)N3CCCC(C3)C.C(=O)(C(=O)O)O |
Product Overview
1'-(4-Ethoxybenzyl)-3-methyl-1,4'-bipiperidine oxalate (CAS 1048638-92-1), with molecular formula C22H34N2O5 and molecular weight 406.25 g/mol. IUPAC: 1-[(4-ethoxyphenyl)methyl]-4-(3-methylpiperidin-1-yl)piperidine;oxalic acid.
Chemical Property Profile of 1'-(4-Ethoxybenzyl)-3-methyl-1,4'-bipiperidine oxalate
Property Insights of 1'-(4-Ethoxybenzyl)-3-methyl-1,4'-bipiperidine oxalate
The XLogP value of 2.9372 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1'-(4-Ethoxybenzyl)-3-methyl-1,4'-bipiperidine oxalate. The TPSA of 90.31 Ų falls within the moderate polarity range, balancing permeability and solubility for 1'-(4-Ethoxybenzyl)-3-methyl-1,4'-bipiperidine oxalate. Following Lipinski's Rule of Five, 1'-(4-Ethoxybenzyl)-3-methyl-1,4'-bipiperidine oxalate has 2 hydrogen bond donor(s) and 5 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'-(4-Ethoxybenzyl)-3-methyl-1,4'-bipiperidine oxalate?
The CAS number of 1'-(4-Ethoxybenzyl)-3-methyl-1,4'-bipiperidine oxalate is 1048638-92-1.
What is the molecular formula of 1'-(4-Ethoxybenzyl)-3-methyl-1,4'-bipiperidine oxalate?
The molecular formula of 1'-(4-Ethoxybenzyl)-3-methyl-1,4'-bipiperidine oxalate is C22H34N2O5.
What is the molecular weight of 1'-(4-Ethoxybenzyl)-3-methyl-1,4'-bipiperidine oxalate?
The molecular weight of 1'-(4-Ethoxybenzyl)-3-methyl-1,4'-bipiperidine oxalate is 406.25 g/mol.
Where can I buy 1'-(4-Ethoxybenzyl)-3-methyl-1,4'-bipiperidine oxalate?
You can request a quote for 1'-(4-Ethoxybenzyl)-3-methyl-1,4'-bipiperidine oxalate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1'-(4-Ethoxybenzyl)-3-methyl-1,4'-bipiperidine oxalate?
Yes, KEHONG BIO provides custom synthesis services for 1'-(4-Ethoxybenzyl)-3-methyl-1,4'-bipiperidine oxalate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.