3-(1-Phenethyl-3-propyl-3-pyrrolidinyl)phenol acetate
TL;DR: 3-(1-Phenethyl-3-propyl-3-pyrrolidinyl)phenol acetate (CAS 13712-53-3) is a chemical compound with molecular formula C23H29NO2 and molecular weight 351.21982 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[3-[1-(2-phenylethyl)-3-propylpyrrolidin-3-yl]phenyl] acetate
Also Known As: 3-(1-Phenethyl-3-propyl-3-pyrrolidinyl)phenol acetate, 5-21-02-00455 (Beilstein Handbook Reference), Phenol, 3-(1-phenethyl-3-propyl-3-pyrrolidinyl)-, acetate, [3-[1-(2-phenylethyl)-3-propylpyrrolidin-3-yl]phenyl] acetate, Acetic acid 3-(1-phenethyl-3-propyl-3-pyrrolidinyl)phenyl ester
Technical Specifications
| Molecular Formula | C23H29NO2 |
| Molecular Weight | 351.21982 g/mol |
| XLogP | 5.3 |
| Topological Polar Surface Area (TPSA) | 29.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 351.21982 Da |
| Heavy Atoms | 26 |
| Complexity | 445.0 |
| SMILES | CCCC1(CCN(C1)CCC2=CC=CC=C2)C3=CC(=CC=C3)OC(=O)C |
| InChIKey | XMHWCXKJOKIDRC-UHFFFAOYSA-N |
Chemical Property Profile of 3-(1-Phenethyl-3-propyl-3-pyrrolidinyl)phenol acetate
Property Insights of 3-(1-Phenethyl-3-propyl-3-pyrrolidinyl)phenol acetate
The XLogP value of 5.3 indicates that 3-(1-Phenethyl-3-propyl-3-pyrrolidinyl)phenol acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.5 Ų, 3-(1-Phenethyl-3-propyl-3-pyrrolidinyl)phenol acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(1-Phenethyl-3-propyl-3-pyrrolidinyl)phenol acetate has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of 3-(1-Phenethyl-3-propyl-3-pyrrolidinyl)phenol acetate?
The CAS number of 3-(1-Phenethyl-3-propyl-3-pyrrolidinyl)phenol acetate is 13712-53-3.
What is the molecular formula of 3-(1-Phenethyl-3-propyl-3-pyrrolidinyl)phenol acetate?
The molecular formula of 3-(1-Phenethyl-3-propyl-3-pyrrolidinyl)phenol acetate is C23H29NO2.
What is the molecular weight of 3-(1-Phenethyl-3-propyl-3-pyrrolidinyl)phenol acetate?
The molecular weight of 3-(1-Phenethyl-3-propyl-3-pyrrolidinyl)phenol acetate is 351.21982 g/mol.
Where can I buy 3-(1-Phenethyl-3-propyl-3-pyrrolidinyl)phenol acetate?
You can request a quote for 3-(1-Phenethyl-3-propyl-3-pyrrolidinyl)phenol acetate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-(1-Phenethyl-3-propyl-3-pyrrolidinyl)phenol acetate?
Yes, CoreyChem provides custom synthesis services for 3-(1-Phenethyl-3-propyl-3-pyrrolidinyl)phenol acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.