1,5-Dimethyl-2-(propan-2-yl)azepane
TL;DR: 1,5-Dimethyl-2-(propan-2-yl)azepane (CAS 6301-55-9) 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.
1,5-dimethyl-2-propan-2-ylazepane
Also Known As: 1,5-dimethyl-2-(propan-2-yl)azepane, 2-isopropyl-1,5-dimethylazepane, KST-1B7719, 1,5-dimethyl-2-propan-2-ylazepane, 1H-Azepine,hexahydro-1,5-dimethyl-2-(1-methylethyl)-
| Molecular Formula | C11H23N |
|---|---|
| Molecular Weight | 169.18 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 3.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 169.18304 |
| Heavy Atoms | 12 |
| Complexity | 131.0 |
Chemical Identifiers
| CAS Number | 6301-55-9 |
|---|---|
| SMILES | CC1CCC(N(CC1)C)C(C)C |
| InChIKey | RYTGNQQRMITKOV-UHFFFAOYSA-N |
Product Overview
1,5-Dimethyl-2-(propan-2-yl)azepane (CAS 6301-55-9), with molecular formula C11H23N and molecular weight 169.18 g/mol. IUPAC: 1,5-dimethyl-2-propan-2-ylazepane.
Chemical Property Profile of 1,5-Dimethyl-2-(propan-2-yl)azepane
Property Insights of 1,5-Dimethyl-2-(propan-2-yl)azepane
The XLogP value of 3.3 indicates that 1,5-Dimethyl-2-(propan-2-yl)azepane is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 3.2 Ų, 1,5-Dimethyl-2-(propan-2-yl)azepane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,5-Dimethyl-2-(propan-2-yl)azepane has 0 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 1,5-Dimethyl-2-(propan-2-yl)azepane?
The CAS number of 1,5-Dimethyl-2-(propan-2-yl)azepane is 6301-55-9.
What is the molecular formula of 1,5-Dimethyl-2-(propan-2-yl)azepane?
The molecular formula of 1,5-Dimethyl-2-(propan-2-yl)azepane is C11H23N.
What is the molecular weight of 1,5-Dimethyl-2-(propan-2-yl)azepane?
The molecular weight of 1,5-Dimethyl-2-(propan-2-yl)azepane is 169.18 g/mol.
Where can I buy 1,5-Dimethyl-2-(propan-2-yl)azepane?
You can request a quote for 1,5-Dimethyl-2-(propan-2-yl)azepane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,5-Dimethyl-2-(propan-2-yl)azepane?
Yes, KEHONG BIO provides custom synthesis services for 1,5-Dimethyl-2-(propan-2-yl)azepane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.