2-(Azepan-1-yl)-2-phenylethan-1-ol
TL;DR: 2-(Azepan-1-yl)-2-phenylethan-1-ol (CAS 7550-21-2) is a chemical compound with molecular formula C14H21NO and molecular weight 219.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(azepan-1-yl)-2-phenylethanol
Also Known As: 2-(azepan-1-yl)-2-phenylethanol, beta-Phenylhexahydro-1H-azepine-1-ethanol, 2-(Azepan-1-yl)-2-phenylethan-1-ol, 1H-AZEPINE-1-ETHANOL, HEXAHYDRO-beta-PHENYL-, RefChem:1061438
| Molecular Formula | C14H21NO |
|---|---|
| Molecular Weight | 219.16 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 23.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 219.16231 |
| Heavy Atoms | 16 |
| Complexity | 181.0 |
Chemical Identifiers
| CAS Number | 7550-21-2 |
|---|---|
| SMILES | C1CCCN(CC1)C(CO)C2=CC=CC=C2 |
| InChIKey | BDEMAQMSIJJOEY-UHFFFAOYSA-N |
Product Overview
2-(Azepan-1-yl)-2-phenylethan-1-ol (CAS 7550-21-2), with molecular formula C14H21NO and molecular weight 219.16 g/mol. IUPAC: 2-(azepan-1-yl)-2-phenylethanol.
Chemical Property Profile of 2-(Azepan-1-yl)-2-phenylethan-1-ol
Property Insights of 2-(Azepan-1-yl)-2-phenylethan-1-ol
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(Azepan-1-yl)-2-phenylethan-1-ol. With a topological polar surface area (TPSA) of 23.5 Ų, 2-(Azepan-1-yl)-2-phenylethan-1-ol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(Azepan-1-yl)-2-phenylethan-1-ol 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 2-(Azepan-1-yl)-2-phenylethan-1-ol?
The CAS number of 2-(Azepan-1-yl)-2-phenylethan-1-ol is 7550-21-2.
What is the molecular formula of 2-(Azepan-1-yl)-2-phenylethan-1-ol?
The molecular formula of 2-(Azepan-1-yl)-2-phenylethan-1-ol is C14H21NO.
What is the molecular weight of 2-(Azepan-1-yl)-2-phenylethan-1-ol?
The molecular weight of 2-(Azepan-1-yl)-2-phenylethan-1-ol is 219.16 g/mol.
Where can I buy 2-(Azepan-1-yl)-2-phenylethan-1-ol?
You can request a quote for 2-(Azepan-1-yl)-2-phenylethan-1-ol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Azepan-1-yl)-2-phenylethan-1-ol?
Yes, KEHONG BIO provides custom synthesis services for 2-(Azepan-1-yl)-2-phenylethan-1-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.