Benzilic acid, 2-(1-pyrrolidinyl)ethyl ester
TL;DR: Benzilic acid, 2-(1-pyrrolidinyl)ethyl ester (CAS 4398-62-3) is a chemical compound with molecular formula C20H23NO3 and molecular weight 325.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-pyrrolidin-1-ylethyl 2-hydroxy-2,2-diphenylacetate
Also Known As: BENZILIC ACID, 2-(1-PYRROLIDINYL)ETHYL ESTER, 4-20-00-00106 (Beilstein Handbook Reference), 2-pyrrolidin-1-ylethyl 2-hydroxy-2,2-diphenylacetate, 2-(Pyrrolidin-1-yl)ethyl hydroxydi(phenyl)acetate, Benzeneacetic acid, alpha-hydroxy-alpha-phenyl-, 2-(1-pyrrolidinyl)ethyl ester
| Molecular Formula | C20H23NO3 |
|---|---|
| Molecular Weight | 325.17 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 49.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 325.1678 |
| Heavy Atoms | 24 |
| Complexity | 376.0 |
Chemical Identifiers
| CAS Number | 4398-62-3 |
|---|---|
| SMILES | C1CCN(C1)CCOC(=O)C(C2=CC=CC=C2)(C3=CC=CC=C3)O |
| InChIKey | PWSPYDPXLSEQQH-UHFFFAOYSA-N |
Product Overview
Benzilic acid, 2-(1-pyrrolidinyl)ethyl ester (CAS 4398-62-3), with molecular formula C20H23NO3 and molecular weight 325.17 g/mol. IUPAC: 2-pyrrolidin-1-ylethyl 2-hydroxy-2,2-diphenylacetate.
Chemical Property Profile of Benzilic acid, 2-(1-pyrrolidinyl)ethyl ester
Property Insights of Benzilic acid, 2-(1-pyrrolidinyl)ethyl ester
The XLogP value of 3.2 indicates that Benzilic acid, 2-(1-pyrrolidinyl)ethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.8 Ų, Benzilic acid, 2-(1-pyrrolidinyl)ethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzilic acid, 2-(1-pyrrolidinyl)ethyl ester has 1 hydrogen bond donor(s) and 4 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 Benzilic acid, 2-(1-pyrrolidinyl)ethyl ester?
The CAS number of Benzilic acid, 2-(1-pyrrolidinyl)ethyl ester is 4398-62-3.
What is the molecular formula of Benzilic acid, 2-(1-pyrrolidinyl)ethyl ester?
The molecular formula of Benzilic acid, 2-(1-pyrrolidinyl)ethyl ester is C20H23NO3.
What is the molecular weight of Benzilic acid, 2-(1-pyrrolidinyl)ethyl ester?
The molecular weight of Benzilic acid, 2-(1-pyrrolidinyl)ethyl ester is 325.17 g/mol.
Where can I buy Benzilic acid, 2-(1-pyrrolidinyl)ethyl ester?
You can request a quote for Benzilic acid, 2-(1-pyrrolidinyl)ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzilic acid, 2-(1-pyrrolidinyl)ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzilic acid, 2-(1-pyrrolidinyl)ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.