3-(p-Acetyloxyphenethyl-3-propyl-3-pyrrolidinyl)phenol acetate
TL;DR: 3-(p-Acetyloxyphenethyl-3-propyl-3-pyrrolidinyl)phenol acetate (CAS 27452-90-0) is a chemical compound with molecular formula C25H31NO4 and molecular weight 409.2253 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[4-[2-[3-(3-acetyloxyphenyl)-3-propylpyrrolidin-1-yl]ethyl]phenyl] acetate
Also Known As: 3-(p-Acetyloxyphenethyl-3-propyl-3-pyrrolidinyl)phenol acetate, 5-21-02-00456 (Beilstein Handbook Reference), aceticacidm-[1-3-propyl-3-pyrrolidinyl]phenylester, Phenol, 3-(p-hydroxyphenethyl-3-propyl-3-pyrrolidinyl)-, diacetate, Aceticacidm-[1- -3-propyl-3-pyrrolidinyl]phenylester
Technical Specifications
| Molecular Formula | C25H31NO4 |
| Molecular Weight | 409.2253 g/mol |
| XLogP | 5.0 |
| Topological Polar Surface Area (TPSA) | 55.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 10 |
| Exact Mass | 409.2253 Da |
| Heavy Atoms | 30 |
| Complexity | 571.0 |
| SMILES | CCCC1(CCN(C1)CCC2=CC=C(C=C2)OC(=O)C)C3=CC(=CC=C3)OC(=O)C |
| InChIKey | TUZIOXPOHMWNKY-UHFFFAOYSA-N |
Chemical Property Profile of 3-(p-Acetyloxyphenethyl-3-propyl-3-pyrrolidinyl)phenol acetate
Property Insights of 3-(p-Acetyloxyphenethyl-3-propyl-3-pyrrolidinyl)phenol acetate
The XLogP value of 5.0 indicates that 3-(p-Acetyloxyphenethyl-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 55.8 Ų, 3-(p-Acetyloxyphenethyl-3-propyl-3-pyrrolidinyl)phenol acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(p-Acetyloxyphenethyl-3-propyl-3-pyrrolidinyl)phenol acetate has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 3-(p-Acetyloxyphenethyl-3-propyl-3-pyrrolidinyl)phenol acetate?
The CAS number of 3-(p-Acetyloxyphenethyl-3-propyl-3-pyrrolidinyl)phenol acetate is 27452-90-0.
What is the molecular formula of 3-(p-Acetyloxyphenethyl-3-propyl-3-pyrrolidinyl)phenol acetate?
The molecular formula of 3-(p-Acetyloxyphenethyl-3-propyl-3-pyrrolidinyl)phenol acetate is C25H31NO4.
What is the molecular weight of 3-(p-Acetyloxyphenethyl-3-propyl-3-pyrrolidinyl)phenol acetate?
The molecular weight of 3-(p-Acetyloxyphenethyl-3-propyl-3-pyrrolidinyl)phenol acetate is 409.2253 g/mol.
Where can I buy 3-(p-Acetyloxyphenethyl-3-propyl-3-pyrrolidinyl)phenol acetate?
You can request a quote for 3-(p-Acetyloxyphenethyl-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-(p-Acetyloxyphenethyl-3-propyl-3-pyrrolidinyl)phenol acetate?
Yes, CoreyChem provides custom synthesis services for 3-(p-Acetyloxyphenethyl-3-propyl-3-pyrrolidinyl)phenol acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.