Azepexole hydrochloride
TL;DR: Azepexole hydrochloride (CAS 40806-04-0) is a chemical compound with molecular formula C9H17Cl2N3O and molecular weight 253.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-ethyl-4,5,7,8-tetrahydro-[1,3]oxazolo[4,5-d]azepin-2-amine;dihydrochloride
Also Known As: B-HT 933 dihydrochloride, Azepexole hydrochloride, Azepexole, Azepexole dihydrochloride, Azepexole HCl
| Molecular Formula | C9H17Cl2N3O |
|---|---|
| Molecular Weight | 253.07 g/mol |
| LogP | 1.5209 |
| Topological Polar Surface Area | 55.3 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 253.07487 |
| Heavy Atoms | 15 |
| Complexity | 176.0 |
Chemical Identifiers
| CAS Number | 40806-04-0 |
|---|---|
| SMILES | CCN1CCC2=C(CC1)OC(=N2)N.Cl.Cl |
| InChIKey | HBLPYIOKPJVFQW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Azepexole hydrochloride (CAS 40806-04-0), with molecular formula C9H17Cl2N3O and molecular weight 253.07 g/mol. IUPAC: 6-ethyl-4,5,7,8-tetrahydro-[1,3]oxazolo[4,5-d]azepin-2-amine;dihydrochloride.
Chemical Property Profile of Azepexole hydrochloride
Property Insights of Azepexole hydrochloride
The XLogP value of 1.5209 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Azepexole hydrochloride. With a topological polar surface area (TPSA) of 55.3 Ų, Azepexole hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Azepexole hydrochloride has 3 hydrogen bond donor(s) and 4 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 Azepexole hydrochloride?
The CAS number of Azepexole hydrochloride is 40806-04-0.
What is the molecular formula of Azepexole hydrochloride?
The molecular formula of Azepexole hydrochloride is C9H17Cl2N3O.
What is the molecular weight of Azepexole hydrochloride?
The molecular weight of Azepexole hydrochloride is 253.07 g/mol.
Where can I buy Azepexole hydrochloride?
You can request a quote for Azepexole hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Azepexole hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Azepexole hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.