2-(2'-Cyclopentyl-2'-phenyl-2'-hydroxyethoxy)tropane
TL;DR: 2-(2'-Cyclopentyl-2'-phenyl-2'-hydroxyethoxy)tropane (CAS 163526-71-4) is a chemical compound with molecular formula C21H31NO2 and molecular weight 329.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-cyclopentyl-2-[(8-methyl-8-azabicyclo[3.2.1]octan-2-yl)oxy]-1-phenylethanol
Also Known As: beta-PCT, 2alpha-DHET, 2-(2'-Cyclopentyl-2'-phenyl-2'-hydroxyethoxy)tropane, 2alpha-(2'-Cyclopentyl-2'-ethoxy-2'-phenylethoxy)tropane, SID:134224199
| Molecular Formula | C21H31NO2 |
|---|---|
| Molecular Weight | 329.24 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 32.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 329.23547 |
| Heavy Atoms | 24 |
| Complexity | 416.0 |
Chemical Identifiers
| CAS Number | 163526-71-4 |
|---|---|
| SMILES | CN1C2CCC1C(CC2)OCC(C3CCCC3)(C4=CC=CC=C4)O |
| InChIKey | JFAVRSZLHCCUEK-UHFFFAOYSA-N |
Product Overview
2-(2'-Cyclopentyl-2'-phenyl-2'-hydroxyethoxy)tropane (CAS 163526-71-4), with molecular formula C21H31NO2 and molecular weight 329.24 g/mol. IUPAC: 1-cyclopentyl-2-[(8-methyl-8-azabicyclo[3.2.1]octan-2-yl)oxy]-1-phenylethanol.
Chemical Property Profile of 2-(2'-Cyclopentyl-2'-phenyl-2'-hydroxyethoxy)tropane
Property Insights of 2-(2'-Cyclopentyl-2'-phenyl-2'-hydroxyethoxy)tropane
The XLogP value of 3.8 indicates that 2-(2'-Cyclopentyl-2'-phenyl-2'-hydroxyethoxy)tropane is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 32.7 Ų, 2-(2'-Cyclopentyl-2'-phenyl-2'-hydroxyethoxy)tropane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(2'-Cyclopentyl-2'-phenyl-2'-hydroxyethoxy)tropane 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-(2'-Cyclopentyl-2'-phenyl-2'-hydroxyethoxy)tropane?
The CAS number of 2-(2'-Cyclopentyl-2'-phenyl-2'-hydroxyethoxy)tropane is 163526-71-4.
What is the molecular formula of 2-(2'-Cyclopentyl-2'-phenyl-2'-hydroxyethoxy)tropane?
The molecular formula of 2-(2'-Cyclopentyl-2'-phenyl-2'-hydroxyethoxy)tropane is C21H31NO2.
What is the molecular weight of 2-(2'-Cyclopentyl-2'-phenyl-2'-hydroxyethoxy)tropane?
The molecular weight of 2-(2'-Cyclopentyl-2'-phenyl-2'-hydroxyethoxy)tropane is 329.24 g/mol.
Where can I buy 2-(2'-Cyclopentyl-2'-phenyl-2'-hydroxyethoxy)tropane?
You can request a quote for 2-(2'-Cyclopentyl-2'-phenyl-2'-hydroxyethoxy)tropane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(2'-Cyclopentyl-2'-phenyl-2'-hydroxyethoxy)tropane?
Yes, KEHONG BIO provides custom synthesis services for 2-(2'-Cyclopentyl-2'-phenyl-2'-hydroxyethoxy)tropane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.