Ethyl 4-(pyrrolidin-1-yl)benzoate
TL;DR: Ethyl 4-(pyrrolidin-1-yl)benzoate (CAS 101038-64-6) is a chemical compound with molecular formula C13H17NO2 and molecular weight 219.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-pyrrolidin-1-ylbenzoate
Also Known As: ethyl 4-(pyrrolidin-1-yl)benzoate, ethyl 4-pyrrolidin-1-ylbenzoate, ethyl 4-pyrrolidinobenzoate, 4-Pyrrolidin-1-yl-benzoic acid ethyl ester, TimTec1_008389
| Molecular Formula | C13H17NO2 |
|---|---|
| Molecular Weight | 219.13 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 219.12593 |
| Heavy Atoms | 16 |
| Complexity | 228.0 |
Chemical Identifiers
| CAS Number | 101038-64-6 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)N2CCCC2 |
| InChIKey | RKJDCQVVECOVJR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl 4-(pyrrolidin-1-yl)benzoate (CAS 101038-64-6), with molecular formula C13H17NO2 and molecular weight 219.13 g/mol. IUPAC: ethyl 4-pyrrolidin-1-ylbenzoate.
Chemical Property Profile of Ethyl 4-(pyrrolidin-1-yl)benzoate
Property Insights of Ethyl 4-(pyrrolidin-1-yl)benzoate
The XLogP value of 3.4 indicates that Ethyl 4-(pyrrolidin-1-yl)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.5 Ų, Ethyl 4-(pyrrolidin-1-yl)benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 4-(pyrrolidin-1-yl)benzoate 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 Ethyl 4-(pyrrolidin-1-yl)benzoate?
The CAS number of Ethyl 4-(pyrrolidin-1-yl)benzoate is 101038-64-6.
What is the molecular formula of Ethyl 4-(pyrrolidin-1-yl)benzoate?
The molecular formula of Ethyl 4-(pyrrolidin-1-yl)benzoate is C13H17NO2.
What is the molecular weight of Ethyl 4-(pyrrolidin-1-yl)benzoate?
The molecular weight of Ethyl 4-(pyrrolidin-1-yl)benzoate is 219.13 g/mol.
Where can I buy Ethyl 4-(pyrrolidin-1-yl)benzoate?
You can request a quote for Ethyl 4-(pyrrolidin-1-yl)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 4-(pyrrolidin-1-yl)benzoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-(pyrrolidin-1-yl)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.