Azepane
TL;DR: Azepane (CAS 6951-12-8) is a chemical compound with molecular formula C13H26N2S2 and molecular weight 274.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
azepane;azepane-1-carbodithioic acid
Also Known As: Azepane, DIMETHALLYLCARBONATE, azepane; azepane-1-carbodithioic acid, azepane;azepane-1-carbodithioic acid, Azepane azepane-1-carbodithioate
| Molecular Formula | C13H26N2S2 |
|---|---|
| Molecular Weight | 274.15 g/mol |
| LogP | 3.2271 |
| Topological Polar Surface Area | 48.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 274.15375 |
| Heavy Atoms | 17 |
| Complexity | 154.0 |
Chemical Identifiers
| CAS Number | 6951-12-8 |
|---|---|
| SMILES | C1CCCNCC1.C1CCCN(CC1)C(=S)S |
| InChIKey | CIPHOUPBLAOEKY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Azepane (CAS 6951-12-8), with molecular formula C13H26N2S2 and molecular weight 274.15 g/mol. IUPAC: azepane;azepane-1-carbodithioic acid.
Chemical Property Profile of Azepane
Property Insights of Azepane
The XLogP value of 3.2271 indicates that Azepane is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 48.4 Ų, Azepane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Azepane has 2 hydrogen bond donor(s) and 3 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 Azepane?
The CAS number of Azepane is 6951-12-8.
What is the molecular formula of Azepane?
The molecular formula of Azepane is C13H26N2S2.
What is the molecular weight of Azepane?
The molecular weight of Azepane is 274.15 g/mol.
Where can I buy Azepane?
You can request a quote for Azepane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Azepane?
Yes, KEHONG BIO provides custom synthesis services for Azepane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.