2-(2-Methylpropyl)azepane
TL;DR: 2-(2-Methylpropyl)azepane (CAS 80053-55-0) is a chemical compound with molecular formula C10H21N and molecular weight 155.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-methylpropyl)azepane
Also Known As: 2-(2-methylpropyl)azepane, 2-ISOBUTYLAZEPANE, (R)-1-Benzyl-3-pyrrolidinol, 1H-Azepine, hexahydro-2-(2-methylpropyl)-, HEXAHYDRO-2-(2-METHYLPROPYL)-1H-AZEPINE
| Molecular Formula | C10H21N |
|---|---|
| Molecular Weight | 155.17 g/mol |
| LogP | 2.5647 |
| Topological Polar Surface Area | 12.03 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 155.1674 |
| Heavy Atoms | 11 |
| Complexity | 91.0459 |
Chemical Identifiers
| CAS Number | 80053-55-0 |
|---|---|
| SMILES | CC(C)CC1CCCCCN1 |
Product Overview
2-(2-Methylpropyl)azepane (CAS 80053-55-0), with molecular formula C10H21N and molecular weight 155.17 g/mol. IUPAC: 2-(2-methylpropyl)azepane.
Chemical Property Profile of 2-(2-Methylpropyl)azepane
Property Insights of 2-(2-Methylpropyl)azepane
The XLogP value of 2.5647 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(2-Methylpropyl)azepane. With a topological polar surface area (TPSA) of 12.03 Ų, 2-(2-Methylpropyl)azepane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(2-Methylpropyl)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-(2-Methylpropyl)azepane?
The CAS number of 2-(2-Methylpropyl)azepane is 80053-55-0.
What is the molecular formula of 2-(2-Methylpropyl)azepane?
The molecular formula of 2-(2-Methylpropyl)azepane is C10H21N.
What is the molecular weight of 2-(2-Methylpropyl)azepane?
The molecular weight of 2-(2-Methylpropyl)azepane is 155.17 g/mol.
Where can I buy 2-(2-Methylpropyl)azepane?
You can request a quote for 2-(2-Methylpropyl)azepane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(2-Methylpropyl)azepane?
Yes, KEHONG BIO provides custom synthesis services for 2-(2-Methylpropyl)azepane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.