Phenol, m-(3-ethyl-1-methyl-3-pyrrolidinnyl)-, acetate
TL;DR: Phenol, m-(3-ethyl-1-methyl-3-pyrrolidinnyl)-, acetate (CAS 1794-39-4) is a chemical compound with molecular formula C15H21NO2 and molecular weight 247.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-(3-ethyl-1-methylpyrrolidin-3-yl)phenyl] acetate
Also Known As: 3-(m-Acetoxyphenyl)-3-ethyl-1-methylpyrrolidine, m-(3-Ethyl-1-methyl-3-pyrrolidinyl)phenol acetate, Phenol, m-(3-ethyl-1-methyl-3-pyrrolidinnyl)-, acetate, 3-(3-ethyl-1-methylpyrrolidin-3-yl)phenyl acetate, 5-21-02-00425 (Beilstein Handbook Reference)
| Molecular Formula | C15H21NO2 |
|---|---|
| Molecular Weight | 247.16 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 247.15723 |
| Heavy Atoms | 18 |
| Complexity | 305.0 |
Chemical Identifiers
| CAS Number | 1794-39-4 |
|---|---|
| SMILES | CCC1(CCN(C1)C)C2=CC(=CC=C2)OC(=O)C |
| InChIKey | KPVGGLOEBSIAOH-UHFFFAOYSA-N |
Product Overview
Phenol, m-(3-ethyl-1-methyl-3-pyrrolidinnyl)-, acetate (CAS 1794-39-4), with molecular formula C15H21NO2 and molecular weight 247.16 g/mol. IUPAC: [3-(3-ethyl-1-methylpyrrolidin-3-yl)phenyl] acetate.
Chemical Property Profile of Phenol, m-(3-ethyl-1-methyl-3-pyrrolidinnyl)-, acetate
Property Insights of Phenol, m-(3-ethyl-1-methyl-3-pyrrolidinnyl)-, acetate
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Phenol, m-(3-ethyl-1-methyl-3-pyrrolidinnyl)-, acetate. With a topological polar surface area (TPSA) of 29.5 Ų, Phenol, m-(3-ethyl-1-methyl-3-pyrrolidinnyl)-, acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Phenol, m-(3-ethyl-1-methyl-3-pyrrolidinnyl)-, 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 Phenol, m-(3-ethyl-1-methyl-3-pyrrolidinnyl)-, acetate?
The CAS number of Phenol, m-(3-ethyl-1-methyl-3-pyrrolidinnyl)-, acetate is 1794-39-4.
What is the molecular formula of Phenol, m-(3-ethyl-1-methyl-3-pyrrolidinnyl)-, acetate?
The molecular formula of Phenol, m-(3-ethyl-1-methyl-3-pyrrolidinnyl)-, acetate is C15H21NO2.
What is the molecular weight of Phenol, m-(3-ethyl-1-methyl-3-pyrrolidinnyl)-, acetate?
The molecular weight of Phenol, m-(3-ethyl-1-methyl-3-pyrrolidinnyl)-, acetate is 247.16 g/mol.
Where can I buy Phenol, m-(3-ethyl-1-methyl-3-pyrrolidinnyl)-, acetate?
You can request a quote for Phenol, m-(3-ethyl-1-methyl-3-pyrrolidinnyl)-, acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phenol, m-(3-ethyl-1-methyl-3-pyrrolidinnyl)-, acetate?
Yes, KEHONG BIO provides custom synthesis services for Phenol, m-(3-ethyl-1-methyl-3-pyrrolidinnyl)-, acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.