2-(Pentan-3-yl)azepane
TL;DR: 2-(Pentan-3-yl)azepane (CAS 383130-63-0) is a chemical compound with molecular formula C11H23N and molecular weight 169.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-pentan-3-ylazepane
Also Known As: 2-pentan-3-ylazepane, 2-(pentan-3-yl)azepane, 2-(1-ethylpropyl)azepane, 2-(1-Ethylpropyl)hexahydro-1H-azepine
| Molecular Formula | C11H23N |
|---|---|
| Molecular Weight | 169.18 g/mol |
| LogP | 2.9548 |
| Topological Polar Surface Area | 12.03 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 169.18304 |
| Heavy Atoms | 12 |
| Complexity | 99.57174 |
Chemical Identifiers
| CAS Number | 383130-63-0 |
|---|---|
| SMILES | CCC(CC)C1CCCCCN1 |
Product Overview
2-(Pentan-3-yl)azepane (CAS 383130-63-0), with molecular formula C11H23N and molecular weight 169.18 g/mol. IUPAC: 2-pentan-3-ylazepane.
Chemical Property Profile of 2-(Pentan-3-yl)azepane
Property Insights of 2-(Pentan-3-yl)azepane
The XLogP value of 2.9548 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(Pentan-3-yl)azepane. With a topological polar surface area (TPSA) of 12.03 Ų, 2-(Pentan-3-yl)azepane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(Pentan-3-yl)azepane has 1 hydrogen bond donor(s) and 1 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 2-(Pentan-3-yl)azepane?
The CAS number of 2-(Pentan-3-yl)azepane is 383130-63-0.
What is the molecular formula of 2-(Pentan-3-yl)azepane?
The molecular formula of 2-(Pentan-3-yl)azepane is C11H23N.
What is the molecular weight of 2-(Pentan-3-yl)azepane?
The molecular weight of 2-(Pentan-3-yl)azepane is 169.18 g/mol.
Where can I buy 2-(Pentan-3-yl)azepane?
You can request a quote for 2-(Pentan-3-yl)azepane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Pentan-3-yl)azepane?
Yes, KEHONG BIO provides custom synthesis services for 2-(Pentan-3-yl)azepane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.