Hexahydro-1H-azepine-1-ethanol
TL;DR: Hexahydro-1H-azepine-1-ethanol (CAS 20603-00-3) is a chemical compound with molecular formula C8H17NO and molecular weight 143.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(azepan-1-yl)ethanol
Also Known As: 2-(azepan-1-yl)ethanol, n-(2-hydroxyethyl)hexamethyleneimine, Hexahydro-1H-azepine-1-ethanol, 1-Azepaneethanol, 2-(azepan-1-yl)ethan-1-ol
| Molecular Formula | C8H17NO |
|---|---|
| Molecular Weight | 143.13 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 23.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 143.13101 |
| Heavy Atoms | 10 |
| Complexity | 77.0 |
Chemical Identifiers
| CAS Number | 20603-00-3 |
|---|---|
| SMILES | C1CCCN(CC1)CCO |
| InChIKey | VMRYMOMQCYSPHS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Hexahydro-1H-azepine-1-ethanol (CAS 20603-00-3), with molecular formula C8H17NO and molecular weight 143.13 g/mol. IUPAC: 2-(azepan-1-yl)ethanol.
Chemical Property Profile of Hexahydro-1H-azepine-1-ethanol
Property Insights of Hexahydro-1H-azepine-1-ethanol
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Hexahydro-1H-azepine-1-ethanol. With a topological polar surface area (TPSA) of 23.5 Ų, Hexahydro-1H-azepine-1-ethanol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Hexahydro-1H-azepine-1-ethanol 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 Hexahydro-1H-azepine-1-ethanol?
The CAS number of Hexahydro-1H-azepine-1-ethanol is 20603-00-3.
What is the molecular formula of Hexahydro-1H-azepine-1-ethanol?
The molecular formula of Hexahydro-1H-azepine-1-ethanol is C8H17NO.
What is the molecular weight of Hexahydro-1H-azepine-1-ethanol?
The molecular weight of Hexahydro-1H-azepine-1-ethanol is 143.13 g/mol.
Where can I buy Hexahydro-1H-azepine-1-ethanol?
You can request a quote for Hexahydro-1H-azepine-1-ethanol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Hexahydro-1H-azepine-1-ethanol?
Yes, KEHONG BIO provides custom synthesis services for Hexahydro-1H-azepine-1-ethanol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.