Acetic acid, diphenyl-, 2-(1-ethyl-2-pyrrolidinyl)ethyl ester
TL;DR: Acetic acid, diphenyl-, 2-(1-ethyl-2-pyrrolidinyl)ethyl ester (CAS 102476-22-2) is a chemical compound with molecular formula C22H27NO2 and molecular weight 337.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1-ethylpyrrolidin-2-yl)ethyl 2,2-diphenylacetate
Also Known As: BRL 432, Diphenylacetic acid 2-(1-ethyl-2-pyrrolidinyl)ethyl ester, 2-(1-ethylpyrrolidin-2-yl)ethyl 2,2-diphenylacetate, 2-(1-ethylpyrrolidin-2-yl)ethyl diphenylacetate, ACETIC ACID, DIPHENYL-, 2-(1-ETHYL-2-PYRROLIDINYL)ETHYL ESTER
| Molecular Formula | C22H27NO2 |
|---|---|
| Molecular Weight | 337.20 g/mol |
| LogP | 4.7 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 337.2042 |
| Heavy Atoms | 25 |
| Complexity | 381.0 |
Chemical Identifiers
| CAS Number | 102476-22-2 |
|---|---|
| SMILES | CCN1CCCC1CCOC(=O)C(C2=CC=CC=C2)C3=CC=CC=C3 |
| InChIKey | IXKPRDSSKVNTLV-UHFFFAOYSA-N |
Product Overview
Acetic acid, diphenyl-, 2-(1-ethyl-2-pyrrolidinyl)ethyl ester (CAS 102476-22-2), with molecular formula C22H27NO2 and molecular weight 337.20 g/mol. IUPAC: 2-(1-ethylpyrrolidin-2-yl)ethyl 2,2-diphenylacetate.
Chemical Property Profile of Acetic acid, diphenyl-, 2-(1-ethyl-2-pyrrolidinyl)ethyl ester
Property Insights of Acetic acid, diphenyl-, 2-(1-ethyl-2-pyrrolidinyl)ethyl ester
The XLogP value of 4.7 indicates that Acetic acid, diphenyl-, 2-(1-ethyl-2-pyrrolidinyl)ethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.5 Ų, Acetic acid, diphenyl-, 2-(1-ethyl-2-pyrrolidinyl)ethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Acetic acid, diphenyl-, 2-(1-ethyl-2-pyrrolidinyl)ethyl ester 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 Acetic acid, diphenyl-, 2-(1-ethyl-2-pyrrolidinyl)ethyl ester?
The CAS number of Acetic acid, diphenyl-, 2-(1-ethyl-2-pyrrolidinyl)ethyl ester is 102476-22-2.
What is the molecular formula of Acetic acid, diphenyl-, 2-(1-ethyl-2-pyrrolidinyl)ethyl ester?
The molecular formula of Acetic acid, diphenyl-, 2-(1-ethyl-2-pyrrolidinyl)ethyl ester is C22H27NO2.
What is the molecular weight of Acetic acid, diphenyl-, 2-(1-ethyl-2-pyrrolidinyl)ethyl ester?
The molecular weight of Acetic acid, diphenyl-, 2-(1-ethyl-2-pyrrolidinyl)ethyl ester is 337.20 g/mol.
Where can I buy Acetic acid, diphenyl-, 2-(1-ethyl-2-pyrrolidinyl)ethyl ester?
You can request a quote for Acetic acid, diphenyl-, 2-(1-ethyl-2-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 Acetic acid, diphenyl-, 2-(1-ethyl-2-pyrrolidinyl)ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Acetic acid, diphenyl-, 2-(1-ethyl-2-pyrrolidinyl)ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.