1-(1-(2,3,4-Trimethoxybenzyl)piperidin-4-yl)azepane oxalate
TL;DR: 1-(1-(2,3,4-Trimethoxybenzyl)piperidin-4-yl)azepane oxalate (CAS 1048359-41-6) is a chemical compound with molecular formula C23H36N2O7 and molecular weight 452.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
oxalic acid;1-[1-[(2,3,4-trimethoxyphenyl)methyl]piperidin-4-yl]azepane
Also Known As: 1-(1-(2,3,4-trimethoxybenzyl)piperidin-4-yl)azepane oxalate, oxalic acid; 1-[1-[(2,3,4-trimethoxyphenyl)methyl]piperidin-4-yl]azepane, IUPAC: Oxalic Acid; 1-[1-[(2,3,4-trimethoxyphenyl)methyl]-4-piperidyl]azepane
| Molecular Formula | C23H36N2O7 |
|---|---|
| Molecular Weight | 452.25 g/mol |
| LogP | 2.7084 |
| Topological Polar Surface Area | 108.77 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 452.25226 |
| Heavy Atoms | 32 |
| Complexity | 728.1056 |
Chemical Identifiers
| CAS Number | 1048359-41-6 |
|---|---|
| SMILES | COC1=C(C(=C(C=C1)CN2CCC(CC2)N3CCCCCC3)OC)OC.C(=O)(C(=O)O)O |
Product Overview
1-(1-(2,3,4-Trimethoxybenzyl)piperidin-4-yl)azepane oxalate (CAS 1048359-41-6), with molecular formula C23H36N2O7 and molecular weight 452.25 g/mol. IUPAC: oxalic acid;1-[1-[(2,3,4-trimethoxyphenyl)methyl]piperidin-4-yl]azepane.
Chemical Property Profile of 1-(1-(2,3,4-Trimethoxybenzyl)piperidin-4-yl)azepane oxalate
Property Insights of 1-(1-(2,3,4-Trimethoxybenzyl)piperidin-4-yl)azepane oxalate
The XLogP value of 2.7084 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(1-(2,3,4-Trimethoxybenzyl)piperidin-4-yl)azepane oxalate. The TPSA of 108.77 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(1-(2,3,4-Trimethoxybenzyl)piperidin-4-yl)azepane oxalate. Following Lipinski's Rule of Five, 1-(1-(2,3,4-Trimethoxybenzyl)piperidin-4-yl)azepane oxalate has 2 hydrogen bond donor(s) and 7 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-(1-(2,3,4-Trimethoxybenzyl)piperidin-4-yl)azepane oxalate?
The CAS number of 1-(1-(2,3,4-Trimethoxybenzyl)piperidin-4-yl)azepane oxalate is 1048359-41-6.
What is the molecular formula of 1-(1-(2,3,4-Trimethoxybenzyl)piperidin-4-yl)azepane oxalate?
The molecular formula of 1-(1-(2,3,4-Trimethoxybenzyl)piperidin-4-yl)azepane oxalate is C23H36N2O7.
What is the molecular weight of 1-(1-(2,3,4-Trimethoxybenzyl)piperidin-4-yl)azepane oxalate?
The molecular weight of 1-(1-(2,3,4-Trimethoxybenzyl)piperidin-4-yl)azepane oxalate is 452.25 g/mol.
Where can I buy 1-(1-(2,3,4-Trimethoxybenzyl)piperidin-4-yl)azepane oxalate?
You can request a quote for 1-(1-(2,3,4-Trimethoxybenzyl)piperidin-4-yl)azepane oxalate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(1-(2,3,4-Trimethoxybenzyl)piperidin-4-yl)azepane oxalate?
Yes, KEHONG BIO provides custom synthesis services for 1-(1-(2,3,4-Trimethoxybenzyl)piperidin-4-yl)azepane oxalate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.