Benzilic Acid 1-Ethyl-3-pyrrolidinyl Ester
TL;DR: Benzilic Acid 1-Ethyl-3-pyrrolidinyl Ester (CAS 94576-88-2) 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.
(1-ethylpyrrolidin-3-yl) 2-hydroxy-2,2-diphenylacetate
Also Known As: Benzilic Acid 1-Ethyl-3-pyrrolidinyl Ester, starbld0003010, N-Desethyl rac-Benzilonium, BenzilicAcid1-Ethyl-3-pyrrolidinylEster, (1-ethylpyrrolidin-3-yl) 2-hydroxy-2,2-diphenylacetate
| 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 | 6 |
| Exact Mass | 325.1678 |
| Heavy Atoms | 24 |
| Complexity | 395.0 |
Chemical Identifiers
| CAS Number | 94576-88-2 |
|---|---|
| SMILES | CCN1CCC(C1)OC(=O)C(C2=CC=CC=C2)(C3=CC=CC=C3)O |
| InChIKey | LINSZIYEKJQFMG-UHFFFAOYSA-N |
Product Overview
Benzilic Acid 1-Ethyl-3-pyrrolidinyl Ester (CAS 94576-88-2), with molecular formula C20H23NO3 and molecular weight 325.17 g/mol. IUPAC: (1-ethylpyrrolidin-3-yl) 2-hydroxy-2,2-diphenylacetate.
Chemical Property Profile of Benzilic Acid 1-Ethyl-3-pyrrolidinyl Ester
Property Insights of Benzilic Acid 1-Ethyl-3-pyrrolidinyl Ester
The XLogP value of 3.2 indicates that Benzilic Acid 1-Ethyl-3-pyrrolidinyl 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 1-Ethyl-3-pyrrolidinyl Ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzilic Acid 1-Ethyl-3-pyrrolidinyl 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 1-Ethyl-3-pyrrolidinyl Ester?
The CAS number of Benzilic Acid 1-Ethyl-3-pyrrolidinyl Ester is 94576-88-2.
What is the molecular formula of Benzilic Acid 1-Ethyl-3-pyrrolidinyl Ester?
The molecular formula of Benzilic Acid 1-Ethyl-3-pyrrolidinyl Ester is C20H23NO3.
What is the molecular weight of Benzilic Acid 1-Ethyl-3-pyrrolidinyl Ester?
The molecular weight of Benzilic Acid 1-Ethyl-3-pyrrolidinyl Ester is 325.17 g/mol.
Where can I buy Benzilic Acid 1-Ethyl-3-pyrrolidinyl Ester?
You can request a quote for Benzilic Acid 1-Ethyl-3-pyrrolidinyl 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 1-Ethyl-3-pyrrolidinyl Ester?
Yes, KEHONG BIO provides custom synthesis services for Benzilic Acid 1-Ethyl-3-pyrrolidinyl Ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.