3-(1-Methyl-3-propylpyrrolidin-3-yl)phenyl butanoate
TL;DR: 3-(1-Methyl-3-propylpyrrolidin-3-yl)phenyl butanoate (CAS 1505-28-8) is a chemical compound with molecular formula C18H27NO2 and molecular weight 289.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-(1-methyl-3-propylpyrrolidin-3-yl)phenyl] butanoate
Also Known As: starbld0021412, Phenol, m-(1-methyl-3-propyl-3-pyrrolidinyl)-, butyrate, 3-(1-Methyl-3-propylpyrrolidinyl)phenyl butyrate, 3-(m-Butyroxyphenyl)-1-methyl-3-propylpyrrolidine, 3-(1-Methyl-3-propyl-3-pyrrolidinyl)phenol butyrate
| Molecular Formula | C18H27NO2 |
|---|---|
| Molecular Weight | 289.20 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 289.2042 |
| Heavy Atoms | 21 |
| Complexity | 344.0 |
Chemical Identifiers
| CAS Number | 1505-28-8 |
|---|---|
| SMILES | CCCC(=O)OC1=CC=CC(=C1)C2(CCN(C2)C)CCC |
| InChIKey | PIAKNCRMMDIDLE-UHFFFAOYSA-N |
Product Overview
3-(1-Methyl-3-propylpyrrolidin-3-yl)phenyl butanoate (CAS 1505-28-8), with molecular formula C18H27NO2 and molecular weight 289.20 g/mol. IUPAC: [3-(1-methyl-3-propylpyrrolidin-3-yl)phenyl] butanoate.
Chemical Property Profile of 3-(1-Methyl-3-propylpyrrolidin-3-yl)phenyl butanoate
Property Insights of 3-(1-Methyl-3-propylpyrrolidin-3-yl)phenyl butanoate
The XLogP value of 4.2 indicates that 3-(1-Methyl-3-propylpyrrolidin-3-yl)phenyl butanoate 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-Methyl-3-propylpyrrolidin-3-yl)phenyl butanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(1-Methyl-3-propylpyrrolidin-3-yl)phenyl butanoate 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-(1-Methyl-3-propylpyrrolidin-3-yl)phenyl butanoate?
The CAS number of 3-(1-Methyl-3-propylpyrrolidin-3-yl)phenyl butanoate is 1505-28-8.
What is the molecular formula of 3-(1-Methyl-3-propylpyrrolidin-3-yl)phenyl butanoate?
The molecular formula of 3-(1-Methyl-3-propylpyrrolidin-3-yl)phenyl butanoate is C18H27NO2.
What is the molecular weight of 3-(1-Methyl-3-propylpyrrolidin-3-yl)phenyl butanoate?
The molecular weight of 3-(1-Methyl-3-propylpyrrolidin-3-yl)phenyl butanoate is 289.20 g/mol.
Where can I buy 3-(1-Methyl-3-propylpyrrolidin-3-yl)phenyl butanoate?
You can request a quote for 3-(1-Methyl-3-propylpyrrolidin-3-yl)phenyl butanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(1-Methyl-3-propylpyrrolidin-3-yl)phenyl butanoate?
Yes, KEHONG BIO provides custom synthesis services for 3-(1-Methyl-3-propylpyrrolidin-3-yl)phenyl butanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.