2-(4-Methyl-1,4-diazepan-1-yl)ethanol
TL;DR: 2-(4-Methyl-1,4-diazepan-1-yl)ethanol (CAS 65955-46-6) is a chemical compound with molecular formula C8H18N2O and molecular weight 158.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-methyl-1,4-diazepan-1-yl)ethanol
Also Known As: 1-(2-Hydroxyethyl)-4-methyl-[1,4]diazepane, 2-(4-methyl-1,4-diazepan-1-yl)ethanol, 2-(4-Methyl-[1,4]diazepan-1-yl)-ethanol, 1-Isobutyl-hexahydro-1,4-diazepin, 2-(4-methylhomopiperazin-1-yl)ethanol
| Molecular Formula | C8H18N2O |
|---|---|
| Molecular Weight | 158.14 g/mol |
| LogP | -0.3 |
| Topological Polar Surface Area | 26.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 158.1419 |
| Heavy Atoms | 11 |
| Complexity | 108.0 |
Chemical Identifiers
| CAS Number | 65955-46-6 |
|---|---|
| SMILES | CN1CCCN(CC1)CCO |
| InChIKey | AJZYETCLSRTJOY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(4-Methyl-1,4-diazepan-1-yl)ethanol (CAS 65955-46-6), with molecular formula C8H18N2O and molecular weight 158.14 g/mol. IUPAC: 2-(4-methyl-1,4-diazepan-1-yl)ethanol.
Chemical Property Profile of 2-(4-Methyl-1,4-diazepan-1-yl)ethanol
Property Insights of 2-(4-Methyl-1,4-diazepan-1-yl)ethanol
The XLogP value of -0.3 indicates that 2-(4-Methyl-1,4-diazepan-1-yl)ethanol is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 26.7 Ų, 2-(4-Methyl-1,4-diazepan-1-yl)ethanol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(4-Methyl-1,4-diazepan-1-yl)ethanol has 1 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 2-(4-Methyl-1,4-diazepan-1-yl)ethanol?
The CAS number of 2-(4-Methyl-1,4-diazepan-1-yl)ethanol is 65955-46-6.
What is the molecular formula of 2-(4-Methyl-1,4-diazepan-1-yl)ethanol?
The molecular formula of 2-(4-Methyl-1,4-diazepan-1-yl)ethanol is C8H18N2O.
What is the molecular weight of 2-(4-Methyl-1,4-diazepan-1-yl)ethanol?
The molecular weight of 2-(4-Methyl-1,4-diazepan-1-yl)ethanol is 158.14 g/mol.
Where can I buy 2-(4-Methyl-1,4-diazepan-1-yl)ethanol?
You can request a quote for 2-(4-Methyl-1,4-diazepan-1-yl)ethanol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4-Methyl-1,4-diazepan-1-yl)ethanol?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-Methyl-1,4-diazepan-1-yl)ethanol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.