1-Methyl-2-(1-pyrrolidinyl)ethyl 4-tert-butylbenzoate
TL;DR: 1-Methyl-2-(1-pyrrolidinyl)ethyl 4-tert-butylbenzoate (CAS 693224-30-5) 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.
1-pyrrolidin-1-ylpropan-2-yl 4-tert-butylbenzoate
Also Known As: 1-methyl-2-(1-pyrrolidinyl)ethyl 4-tert-butylbenzoate, 1-pyrrolidin-1-ylpropan-2-yl 4-tert-butylbenzoate, AO-365/41690566, 1-(pyrrolidin-1-yl)propan-2-yl 4-tert-butylbenzoate, AB01331158-02
| Molecular Formula | C18H27NO2 |
|---|---|
| Molecular Weight | 289.20 g/mol |
| LogP | 3.6252 |
| Topological Polar Surface Area | 29.54 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 289.2042 |
| Heavy Atoms | 21 |
| Complexity | 466.98685 |
Chemical Identifiers
| CAS Number | 693224-30-5 |
|---|---|
| SMILES | CC(CN1CCCC1)OC(=O)C2=CC=C(C=C2)C(C)(C)C |
Product Overview
1-Methyl-2-(1-pyrrolidinyl)ethyl 4-tert-butylbenzoate (CAS 693224-30-5), with molecular formula C18H27NO2 and molecular weight 289.20 g/mol. IUPAC: 1-pyrrolidin-1-ylpropan-2-yl 4-tert-butylbenzoate.
Chemical Property Profile of 1-Methyl-2-(1-pyrrolidinyl)ethyl 4-tert-butylbenzoate
Property Insights of 1-Methyl-2-(1-pyrrolidinyl)ethyl 4-tert-butylbenzoate
The XLogP value of 3.6252 indicates that 1-Methyl-2-(1-pyrrolidinyl)ethyl 4-tert-butylbenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.54 Ų, 1-Methyl-2-(1-pyrrolidinyl)ethyl 4-tert-butylbenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Methyl-2-(1-pyrrolidinyl)ethyl 4-tert-butylbenzoate 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 1-Methyl-2-(1-pyrrolidinyl)ethyl 4-tert-butylbenzoate?
The CAS number of 1-Methyl-2-(1-pyrrolidinyl)ethyl 4-tert-butylbenzoate is 693224-30-5.
What is the molecular formula of 1-Methyl-2-(1-pyrrolidinyl)ethyl 4-tert-butylbenzoate?
The molecular formula of 1-Methyl-2-(1-pyrrolidinyl)ethyl 4-tert-butylbenzoate is C18H27NO2.
What is the molecular weight of 1-Methyl-2-(1-pyrrolidinyl)ethyl 4-tert-butylbenzoate?
The molecular weight of 1-Methyl-2-(1-pyrrolidinyl)ethyl 4-tert-butylbenzoate is 289.20 g/mol.
Where can I buy 1-Methyl-2-(1-pyrrolidinyl)ethyl 4-tert-butylbenzoate?
You can request a quote for 1-Methyl-2-(1-pyrrolidinyl)ethyl 4-tert-butylbenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Methyl-2-(1-pyrrolidinyl)ethyl 4-tert-butylbenzoate?
Yes, KEHONG BIO provides custom synthesis services for 1-Methyl-2-(1-pyrrolidinyl)ethyl 4-tert-butylbenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.