1-(4-Ethoxybenzoyl)pyrrolidine
TL;DR: 1-(4-Ethoxybenzoyl)pyrrolidine (CAS 282104-34-1) 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.
(4-ethoxyphenyl)-pyrrolidin-1-ylmethanone
Also Known As: 1-(4-ethoxybenzoyl)pyrrolidine, TimTec1_000738, 4-ethoxyphenyl pyrrolidinyl ketone, (4-ethoxyphenyl)(pyrrolidin-1-yl)methanone, Pyrrolidine, 1-(4-ethoxybenzoyl)- (9CI)
| Molecular Formula | C13H17NO2 |
|---|---|
| Molecular Weight | 219.13 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 219.12593 |
| Heavy Atoms | 16 |
| Complexity | 228.0 |
Chemical Identifiers
| CAS Number | 282104-34-1 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)C(=O)N2CCCC2 |
| InChIKey | NNNYSOBABPYXSK-UHFFFAOYSA-N |
Product Overview
1-(4-Ethoxybenzoyl)pyrrolidine (CAS 282104-34-1), with molecular formula C13H17NO2 and molecular weight 219.13 g/mol. IUPAC: (4-ethoxyphenyl)-pyrrolidin-1-ylmethanone.
Chemical Property Profile of 1-(4-Ethoxybenzoyl)pyrrolidine
Property Insights of 1-(4-Ethoxybenzoyl)pyrrolidine
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(4-Ethoxybenzoyl)pyrrolidine. With a topological polar surface area (TPSA) of 29.5 Ų, 1-(4-Ethoxybenzoyl)pyrrolidine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(4-Ethoxybenzoyl)pyrrolidine has 0 hydrogen bond donor(s) and 2 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-(4-Ethoxybenzoyl)pyrrolidine?
The CAS number of 1-(4-Ethoxybenzoyl)pyrrolidine is 282104-34-1.
What is the molecular formula of 1-(4-Ethoxybenzoyl)pyrrolidine?
The molecular formula of 1-(4-Ethoxybenzoyl)pyrrolidine is C13H17NO2.
What is the molecular weight of 1-(4-Ethoxybenzoyl)pyrrolidine?
The molecular weight of 1-(4-Ethoxybenzoyl)pyrrolidine is 219.13 g/mol.
Where can I buy 1-(4-Ethoxybenzoyl)pyrrolidine?
You can request a quote for 1-(4-Ethoxybenzoyl)pyrrolidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4-Ethoxybenzoyl)pyrrolidine?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-Ethoxybenzoyl)pyrrolidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.