1-Octyl-1,4-diazepane
TL;DR: 1-Octyl-1,4-diazepane (CAS 54256-47-2) is a chemical compound with molecular formula C13H28N2 and molecular weight 212.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-octyl-1,4-diazepane
Also Known As: 1-octyl-1,4-diazepane
| Molecular Formula | C13H28N2 |
|---|---|
| Molecular Weight | 212.23 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 15.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 7 |
| Exact Mass | 212.22525 |
| Heavy Atoms | 15 |
| Complexity | 136.0 |
Chemical Identifiers
| CAS Number | 54256-47-2 |
|---|---|
| SMILES | CCCCCCCCN1CCCNCC1 |
| InChIKey | QWPYZFDONNNPSU-UHFFFAOYSA-N |
Product Overview
1-Octyl-1,4-diazepane (CAS 54256-47-2), with molecular formula C13H28N2 and molecular weight 212.23 g/mol. IUPAC: 1-octyl-1,4-diazepane.
Chemical Property Profile of 1-Octyl-1,4-diazepane
Property Insights of 1-Octyl-1,4-diazepane
The XLogP value of 3.4 indicates that 1-Octyl-1,4-diazepane is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 15.3 Ų, 1-Octyl-1,4-diazepane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Octyl-1,4-diazepane has 1 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-Octyl-1,4-diazepane?
The CAS number of 1-Octyl-1,4-diazepane is 54256-47-2.
What is the molecular formula of 1-Octyl-1,4-diazepane?
The molecular formula of 1-Octyl-1,4-diazepane is C13H28N2.
What is the molecular weight of 1-Octyl-1,4-diazepane?
The molecular weight of 1-Octyl-1,4-diazepane is 212.23 g/mol.
Where can I buy 1-Octyl-1,4-diazepane?
You can request a quote for 1-Octyl-1,4-diazepane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Octyl-1,4-diazepane?
Yes, KEHONG BIO provides custom synthesis services for 1-Octyl-1,4-diazepane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.