3-(3-Butyl-1-methylpyrrolidin-3-yl)phenyl acetate
TL;DR: 3-(3-Butyl-1-methylpyrrolidin-3-yl)phenyl acetate (CAS 1989-57-7) is a chemical compound with molecular formula C17H25NO2 and molecular weight 275.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-(3-butyl-1-methylpyrrolidin-3-yl)phenyl] acetate
Also Known As: 3-(m-Acetoxyphenyl)-3-butyl-1-methylpyrrolidine, 3-(3-butyl-1-methylpyrrolidin-3-yl)phenyl acetate, m-(3-Butyl-1-methyl-3-pyrrolidinyl)phenol acetate, 5-21-02-00468 (Beilstein Handbook Reference), Phenol, m-(3-butyl-1-methyl-3-pyrrolidinyl)-, acetate
| Molecular Formula | C17H25NO2 |
|---|---|
| Molecular Weight | 275.19 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 275.18854 |
| Heavy Atoms | 20 |
| Complexity | 331.0 |
Chemical Identifiers
| CAS Number | 1989-57-7 |
|---|---|
| SMILES | CCCCC1(CCN(C1)C)C2=CC(=CC=C2)OC(=O)C |
| InChIKey | SHFPXYHIJJLNLS-UHFFFAOYSA-N |
Product Overview
3-(3-Butyl-1-methylpyrrolidin-3-yl)phenyl acetate (CAS 1989-57-7), with molecular formula C17H25NO2 and molecular weight 275.19 g/mol. IUPAC: [3-(3-butyl-1-methylpyrrolidin-3-yl)phenyl] acetate.
Chemical Property Profile of 3-(3-Butyl-1-methylpyrrolidin-3-yl)phenyl acetate
Property Insights of 3-(3-Butyl-1-methylpyrrolidin-3-yl)phenyl acetate
The XLogP value of 3.9 indicates that 3-(3-Butyl-1-methylpyrrolidin-3-yl)phenyl 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-(3-Butyl-1-methylpyrrolidin-3-yl)phenyl acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(3-Butyl-1-methylpyrrolidin-3-yl)phenyl acetate has 0 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-(3-Butyl-1-methylpyrrolidin-3-yl)phenyl acetate?
The CAS number of 3-(3-Butyl-1-methylpyrrolidin-3-yl)phenyl acetate is 1989-57-7.
What is the molecular formula of 3-(3-Butyl-1-methylpyrrolidin-3-yl)phenyl acetate?
The molecular formula of 3-(3-Butyl-1-methylpyrrolidin-3-yl)phenyl acetate is C17H25NO2.
What is the molecular weight of 3-(3-Butyl-1-methylpyrrolidin-3-yl)phenyl acetate?
The molecular weight of 3-(3-Butyl-1-methylpyrrolidin-3-yl)phenyl acetate is 275.19 g/mol.
Where can I buy 3-(3-Butyl-1-methylpyrrolidin-3-yl)phenyl acetate?
You can request a quote for 3-(3-Butyl-1-methylpyrrolidin-3-yl)phenyl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(3-Butyl-1-methylpyrrolidin-3-yl)phenyl acetate?
Yes, KEHONG BIO provides custom synthesis services for 3-(3-Butyl-1-methylpyrrolidin-3-yl)phenyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.