1-(1-(5-Bromo-2-methoxybenzyl)piperidin-4-yl)azepane oxalate
TL;DR: 1-(1-(5-Bromo-2-methoxybenzyl)piperidin-4-yl)azepane oxalate (CAS 1048376-22-2) is a chemical compound with molecular formula C21H31BrN2O5 and molecular weight 470.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[1-[(5-bromo-2-methoxyphenyl)methyl]piperidin-4-yl]azepane;oxalic acid
Also Known As: 1-(1-(5-bromo-2-methoxybenzyl)piperidin-4-yl)azepane oxalate, 1-[1-[(5-bromo-2-methoxyphenyl)methyl]piperidin-4-yl]azepane; oxalic acid, IUPAC: 1-[1-[(5-bromo-2-methoxy-phenyl)methyl]-4-piperidyl]azepane; Oxalic Acid
| Molecular Formula | C21H31BrN2O5 |
|---|---|
| Molecular Weight | 470.14 g/mol |
| LogP | 3.4537 |
| Topological Polar Surface Area | 90.31 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 470.14163 |
| Heavy Atoms | 29 |
| Complexity | 657.03534 |
Chemical Identifiers
| CAS Number | 1048376-22-2 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)Br)CN2CCC(CC2)N3CCCCCC3.C(=O)(C(=O)O)O |
Product Overview
1-(1-(5-Bromo-2-methoxybenzyl)piperidin-4-yl)azepane oxalate (CAS 1048376-22-2), with molecular formula C21H31BrN2O5 and molecular weight 470.14 g/mol. IUPAC: 1-[1-[(5-bromo-2-methoxyphenyl)methyl]piperidin-4-yl]azepane;oxalic acid.
Chemical Property Profile of 1-(1-(5-Bromo-2-methoxybenzyl)piperidin-4-yl)azepane oxalate
Property Insights of 1-(1-(5-Bromo-2-methoxybenzyl)piperidin-4-yl)azepane oxalate
The XLogP value of 3.4537 indicates that 1-(1-(5-Bromo-2-methoxybenzyl)piperidin-4-yl)azepane oxalate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 90.31 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(1-(5-Bromo-2-methoxybenzyl)piperidin-4-yl)azepane oxalate. Following Lipinski's Rule of Five, 1-(1-(5-Bromo-2-methoxybenzyl)piperidin-4-yl)azepane 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-(1-(5-Bromo-2-methoxybenzyl)piperidin-4-yl)azepane oxalate?
The CAS number of 1-(1-(5-Bromo-2-methoxybenzyl)piperidin-4-yl)azepane oxalate is 1048376-22-2.
What is the molecular formula of 1-(1-(5-Bromo-2-methoxybenzyl)piperidin-4-yl)azepane oxalate?
The molecular formula of 1-(1-(5-Bromo-2-methoxybenzyl)piperidin-4-yl)azepane oxalate is C21H31BrN2O5.
What is the molecular weight of 1-(1-(5-Bromo-2-methoxybenzyl)piperidin-4-yl)azepane oxalate?
The molecular weight of 1-(1-(5-Bromo-2-methoxybenzyl)piperidin-4-yl)azepane oxalate is 470.14 g/mol.
Where can I buy 1-(1-(5-Bromo-2-methoxybenzyl)piperidin-4-yl)azepane oxalate?
You can request a quote for 1-(1-(5-Bromo-2-methoxybenzyl)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-(5-Bromo-2-methoxybenzyl)piperidin-4-yl)azepane oxalate?
Yes, KEHONG BIO provides custom synthesis services for 1-(1-(5-Bromo-2-methoxybenzyl)piperidin-4-yl)azepane oxalate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.