1-(1-(3-Bromobenzyl)piperidin-4-yl)azepane oxalate
TL;DR: 1-(1-(3-Bromobenzyl)piperidin-4-yl)azepane oxalate (CAS 1048376-23-3) is a chemical compound with molecular formula C20H29BrN2O4 and molecular weight 440.13107 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[1-[(3-bromophenyl)methyl]piperidin-4-yl]azepane;oxalic acid
Also Known As: 1-(1-(3-bromobenzyl)piperidin-4-yl)azepane oxalate, 1-[1-[(3-bromophenyl)methyl]piperidin-4-yl]azepane; oxalic acid, IUPAC: 1-[1-[(3-bromophenyl)methyl]-4-piperidyl]azepane; Oxalic Acid
Technical Specifications
| Molecular Formula | C20H29BrN2O4 |
| Molecular Weight | 440.13107 g/mol |
| XLogP | 3.4451 |
| Topological Polar Surface Area (TPSA) | 81.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 440.13107 Da |
| Heavy Atoms | 27 |
| Complexity | 365.0 |
| SMILES | C1CCCN(CC1)C2CCN(CC2)CC3=CC(=CC=C3)Br.C(=O)(C(=O)O)O |
| InChIKey | VOTHDGSJCRDVMQ-UHFFFAOYSA-N |
Chemical Property Profile of 1-(1-(3-Bromobenzyl)piperidin-4-yl)azepane oxalate
Property Insights of 1-(1-(3-Bromobenzyl)piperidin-4-yl)azepane oxalate
The XLogP value of 3.4451 indicates that 1-(1-(3-Bromobenzyl)piperidin-4-yl)azepane oxalate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(1-(3-Bromobenzyl)piperidin-4-yl)azepane oxalate. Following Lipinski's Rule of Five, 1-(1-(3-Bromobenzyl)piperidin-4-yl)azepane oxalate has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 1-(1-(3-Bromobenzyl)piperidin-4-yl)azepane oxalate?
The CAS number of 1-(1-(3-Bromobenzyl)piperidin-4-yl)azepane oxalate is 1048376-23-3.
What is the molecular formula of 1-(1-(3-Bromobenzyl)piperidin-4-yl)azepane oxalate?
The molecular formula of 1-(1-(3-Bromobenzyl)piperidin-4-yl)azepane oxalate is C20H29BrN2O4.
What is the molecular weight of 1-(1-(3-Bromobenzyl)piperidin-4-yl)azepane oxalate?
The molecular weight of 1-(1-(3-Bromobenzyl)piperidin-4-yl)azepane oxalate is 440.13107 g/mol.
Where can I buy 1-(1-(3-Bromobenzyl)piperidin-4-yl)azepane oxalate?
You can request a quote for 1-(1-(3-Bromobenzyl)piperidin-4-yl)azepane oxalate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-(1-(3-Bromobenzyl)piperidin-4-yl)azepane oxalate?
Yes, CoreyChem provides custom synthesis services for 1-(1-(3-Bromobenzyl)piperidin-4-yl)azepane oxalate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.