![1-(1-(Benzo[d][1,3]dioxol-5-ylmethyl)piperidin-4-yl)azepane oxalate structure](/static/products/104/1048345-07-8.png)
1-(1-(Benzo[d][1,3]dioxol-5-ylmethyl)piperidin-4-yl)azepane oxalate
TL;DR: 1-(1-(Benzo[d][1,3]dioxol-5-ylmethyl)piperidin-4-yl)azepane oxalate (CAS 1048345-07-8) is a chemical compound with molecular formula C21H30N2O6 and molecular weight 406.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[1-(1,3-benzodioxol-5-ylmethyl)piperidin-4-yl]azepane;oxalic acid
Also Known As: 1-(1-(benzo[d][1,3]dioxol-5-ylmethyl)piperidin-4-yl)azepane oxalate, 1-[1-(1,3-benzodioxol-5-ylmethyl)piperidin-4-yl]azepane; oxalic acid, IUPAC: 1-[1-(benzo[1,3]dioxol-5-ylmethyl)-4-piperidyl]azepane; Oxalic Acid
| Molecular Formula | C21H30N2O6 |
|---|---|
| Molecular Weight | 406.21 g/mol |
| LogP | 2.4113 |
| Topological Polar Surface Area | 99.54 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 406.2104 |
| Heavy Atoms | 29 |
| Complexity | 682.4118 |
Chemical Identifiers
| CAS Number | 1048345-07-8 |
|---|---|
| SMILES | C1CCCN(CC1)C2CCN(CC2)CC3=CC4=C(C=C3)OCO4.C(=O)(C(=O)O)O |
Product Overview
1-(1-(Benzo[d][1,3]dioxol-5-ylmethyl)piperidin-4-yl)azepane oxalate (CAS 1048345-07-8), with molecular formula C21H30N2O6 and molecular weight 406.21 g/mol. IUPAC: 1-[1-(1,3-benzodioxol-5-ylmethyl)piperidin-4-yl]azepane;oxalic acid.
Chemical Property Profile of 1-(1-(Benzo[d][1,3]dioxol-5-ylmethyl)piperidin-4-yl)azepane oxalate
Property Insights of 1-(1-(Benzo[d][1,3]dioxol-5-ylmethyl)piperidin-4-yl)azepane oxalate
The XLogP value of 2.4113 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(1-(Benzo[d][1,3]dioxol-5-ylmethyl)piperidin-4-yl)azepane oxalate. The TPSA of 99.54 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(1-(Benzo[d][1,3]dioxol-5-ylmethyl)piperidin-4-yl)azepane oxalate. Following Lipinski's Rule of Five, 1-(1-(Benzo[d][1,3]dioxol-5-ylmethyl)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
Frequently Asked Questions
What is the CAS number of 1-(1-(Benzo[d][1,3]dioxol-5-ylmethyl)piperidin-4-yl)azepane oxalate?
The CAS number of 1-(1-(Benzo[d][1,3]dioxol-5-ylmethyl)piperidin-4-yl)azepane oxalate is 1048345-07-8.
What is the molecular formula of 1-(1-(Benzo[d][1,3]dioxol-5-ylmethyl)piperidin-4-yl)azepane oxalate?
The molecular formula of 1-(1-(Benzo[d][1,3]dioxol-5-ylmethyl)piperidin-4-yl)azepane oxalate is C21H30N2O6.
What is the molecular weight of 1-(1-(Benzo[d][1,3]dioxol-5-ylmethyl)piperidin-4-yl)azepane oxalate?
The molecular weight of 1-(1-(Benzo[d][1,3]dioxol-5-ylmethyl)piperidin-4-yl)azepane oxalate is 406.21 g/mol.
Where can I buy 1-(1-(Benzo[d][1,3]dioxol-5-ylmethyl)piperidin-4-yl)azepane oxalate?
You can request a quote for 1-(1-(Benzo[d][1,3]dioxol-5-ylmethyl)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-(Benzo[d][1,3]dioxol-5-ylmethyl)piperidin-4-yl)azepane oxalate?
Yes, KEHONG BIO provides custom synthesis services for 1-(1-(Benzo[d][1,3]dioxol-5-ylmethyl)piperidin-4-yl)azepane oxalate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.