![1-{[1-(2-Methylbenzyl)-3-piperidinyl]carbonyl}azepane structure](/static/products/5240/524059-59-4.webp)
1-{[1-(2-Methylbenzyl)-3-piperidinyl]carbonyl}azepane
TL;DR: 1-{[1-(2-Methylbenzyl)-3-piperidinyl]carbonyl}azepane (CAS 524059-59-4) is a chemical compound with molecular formula C20H30N2O and molecular weight 314.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
azepan-1-yl-[1-[(2-methylphenyl)methyl]piperidin-3-yl]methanone
Also Known As: 1-{[1-(2-methylbenzyl)-3-piperidinyl]carbonyl}azepane, AT-057/43319088, azepan-1-yl[1-(2-methylbenzyl)piperidin-3-yl]methanone, azepan-1-yl-[1-[(2-methylphenyl)methyl]piperidin-3-yl]methanone, 1-{1-[(2-methylphenyl)methyl]piperidine-3-carbonyl}azepane
| Molecular Formula | C20H30N2O |
|---|---|
| Molecular Weight | 314.24 g/mol |
| LogP | 3.60962 |
| Topological Polar Surface Area | 23.55 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 314.2358 |
| Heavy Atoms | 23 |
| Complexity | 520.12787 |
Chemical Identifiers
| CAS Number | 524059-59-4 |
|---|---|
| SMILES | CC1=CC=CC=C1CN2CCCC(C2)C(=O)N3CCCCCC3 |
Product Overview
1-{[1-(2-Methylbenzyl)-3-piperidinyl]carbonyl}azepane (CAS 524059-59-4), with molecular formula C20H30N2O and molecular weight 314.24 g/mol. IUPAC: azepan-1-yl-[1-[(2-methylphenyl)methyl]piperidin-3-yl]methanone.
Chemical Property Profile of 1-{[1-(2-Methylbenzyl)-3-piperidinyl]carbonyl}azepane
Property Insights of 1-{[1-(2-Methylbenzyl)-3-piperidinyl]carbonyl}azepane
The XLogP value of 3.60962 indicates that 1-{[1-(2-Methylbenzyl)-3-piperidinyl]carbonyl}azepane is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 23.55 Ų, 1-{[1-(2-Methylbenzyl)-3-piperidinyl]carbonyl}azepane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-{[1-(2-Methylbenzyl)-3-piperidinyl]carbonyl}azepane has 0 hydrogen bond donor(s) and 2 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-Methylbenzyl)-3-piperidinyl]carbonyl}azepane?
The CAS number of 1-{[1-(2-Methylbenzyl)-3-piperidinyl]carbonyl}azepane is 524059-59-4.
What is the molecular formula of 1-{[1-(2-Methylbenzyl)-3-piperidinyl]carbonyl}azepane?
The molecular formula of 1-{[1-(2-Methylbenzyl)-3-piperidinyl]carbonyl}azepane is C20H30N2O.
What is the molecular weight of 1-{[1-(2-Methylbenzyl)-3-piperidinyl]carbonyl}azepane?
The molecular weight of 1-{[1-(2-Methylbenzyl)-3-piperidinyl]carbonyl}azepane is 314.24 g/mol.
Where can I buy 1-{[1-(2-Methylbenzyl)-3-piperidinyl]carbonyl}azepane?
You can request a quote for 1-{[1-(2-Methylbenzyl)-3-piperidinyl]carbonyl}azepane 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-Methylbenzyl)-3-piperidinyl]carbonyl}azepane?
Yes, KEHONG BIO provides custom synthesis services for 1-{[1-(2-Methylbenzyl)-3-piperidinyl]carbonyl}azepane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.