3-(1-Phenoxyethyl-3-propyl-3-pyrrolidinyl)phenol
TL;DR: 3-(1-Phenoxyethyl-3-propyl-3-pyrrolidinyl)phenol (CAS 5469-91-0) is a chemical compound with molecular formula C21H27NO2 and molecular weight 325.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[1-(2-phenoxyethyl)-3-propylpyrrolidin-3-yl]phenol
Also Known As: 3-(1-Phenoxyethyl-3-propyl-3-pyrrolidinyl)phenol, 3-[1-(2-phenoxyethyl)-3-propylpyrrolidin-3-yl]phenol, Phenol, 3-(1-phenoxyethyl-3-propyl-3-pyrrolidinyl)-, 5-21-02-00455 (Beilstein Handbook Reference), 3-(1-(2-phenoxyethyl)-3-propylpyrrolidin-3-yl)phenol
| Molecular Formula | C21H27NO2 |
|---|---|
| Molecular Weight | 325.20 g/mol |
| LogP | 4.9 |
| Topological Polar Surface Area | 32.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 325.2042 |
| Heavy Atoms | 24 |
| Complexity | 369.0 |
Chemical Identifiers
| CAS Number | 5469-91-0 |
|---|---|
| SMILES | CCCC1(CCN(C1)CCOC2=CC=CC=C2)C3=CC(=CC=C3)O |
| InChIKey | FZZFMYWBPTVOAF-UHFFFAOYSA-N |
Product Overview
3-(1-Phenoxyethyl-3-propyl-3-pyrrolidinyl)phenol (CAS 5469-91-0), with molecular formula C21H27NO2 and molecular weight 325.20 g/mol. IUPAC: 3-[1-(2-phenoxyethyl)-3-propylpyrrolidin-3-yl]phenol.
Chemical Property Profile of 3-(1-Phenoxyethyl-3-propyl-3-pyrrolidinyl)phenol
Property Insights of 3-(1-Phenoxyethyl-3-propyl-3-pyrrolidinyl)phenol
The XLogP value of 4.9 indicates that 3-(1-Phenoxyethyl-3-propyl-3-pyrrolidinyl)phenol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 32.7 Ų, 3-(1-Phenoxyethyl-3-propyl-3-pyrrolidinyl)phenol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(1-Phenoxyethyl-3-propyl-3-pyrrolidinyl)phenol 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 3-(1-Phenoxyethyl-3-propyl-3-pyrrolidinyl)phenol?
The CAS number of 3-(1-Phenoxyethyl-3-propyl-3-pyrrolidinyl)phenol is 5469-91-0.
What is the molecular formula of 3-(1-Phenoxyethyl-3-propyl-3-pyrrolidinyl)phenol?
The molecular formula of 3-(1-Phenoxyethyl-3-propyl-3-pyrrolidinyl)phenol is C21H27NO2.
What is the molecular weight of 3-(1-Phenoxyethyl-3-propyl-3-pyrrolidinyl)phenol?
The molecular weight of 3-(1-Phenoxyethyl-3-propyl-3-pyrrolidinyl)phenol is 325.20 g/mol.
Where can I buy 3-(1-Phenoxyethyl-3-propyl-3-pyrrolidinyl)phenol?
You can request a quote for 3-(1-Phenoxyethyl-3-propyl-3-pyrrolidinyl)phenol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(1-Phenoxyethyl-3-propyl-3-pyrrolidinyl)phenol?
Yes, KEHONG BIO provides custom synthesis services for 3-(1-Phenoxyethyl-3-propyl-3-pyrrolidinyl)phenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.