(2S)-1-(4-ethoxybenzoyl)pyrrolidine-2-carboxylic acid
TL;DR: (2S)-1-(4-ethoxybenzoyl)pyrrolidine-2-carboxylic acid (CAS 436811-16-4) is a chemical compound with molecular formula C14H17NO4 and molecular weight 263.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-1-(4-ethoxybenzoyl)pyrrolidine-2-carboxylic acid
Also Known As: BAS 02787627, 1-(4-Ethoxy-benzoyl)-pyrrolidine-2-carboxylic acid, (2S)-1-(4-ethoxybenzoyl)pyrrolidine-2-carboxylic acid
| Molecular Formula | C14H17NO4 |
|---|---|
| Molecular Weight | 263.12 g/mol |
| LogP | 1.7745 |
| Topological Polar Surface Area | 66.84 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 263.11575 |
| Heavy Atoms | 19 |
| Complexity | 468.83923 |
Chemical Identifiers
| CAS Number | 436811-16-4 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)C(=O)N2CCC[C@H]2C(=O)O |
Product Overview
(2S)-1-(4-ethoxybenzoyl)pyrrolidine-2-carboxylic acid (CAS 436811-16-4), with molecular formula C14H17NO4 and molecular weight 263.12 g/mol. IUPAC: (2S)-1-(4-ethoxybenzoyl)pyrrolidine-2-carboxylic acid.
Chemical Property Profile of (2S)-1-(4-ethoxybenzoyl)pyrrolidine-2-carboxylic acid
Property Insights of (2S)-1-(4-ethoxybenzoyl)pyrrolidine-2-carboxylic acid
The XLogP value of 1.7745 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2S)-1-(4-ethoxybenzoyl)pyrrolidine-2-carboxylic acid. The TPSA of 66.84 Ų falls within the moderate polarity range, balancing permeability and solubility for (2S)-1-(4-ethoxybenzoyl)pyrrolidine-2-carboxylic acid. Following Lipinski's Rule of Five, (2S)-1-(4-ethoxybenzoyl)pyrrolidine-2-carboxylic acid has 1 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 (2S)-1-(4-ethoxybenzoyl)pyrrolidine-2-carboxylic acid?
The CAS number of (2S)-1-(4-ethoxybenzoyl)pyrrolidine-2-carboxylic acid is 436811-16-4.
What is the molecular formula of (2S)-1-(4-ethoxybenzoyl)pyrrolidine-2-carboxylic acid?
The molecular formula of (2S)-1-(4-ethoxybenzoyl)pyrrolidine-2-carboxylic acid is C14H17NO4.
What is the molecular weight of (2S)-1-(4-ethoxybenzoyl)pyrrolidine-2-carboxylic acid?
The molecular weight of (2S)-1-(4-ethoxybenzoyl)pyrrolidine-2-carboxylic acid is 263.12 g/mol.
Where can I buy (2S)-1-(4-ethoxybenzoyl)pyrrolidine-2-carboxylic acid?
You can request a quote for (2S)-1-(4-ethoxybenzoyl)pyrrolidine-2-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2S)-1-(4-ethoxybenzoyl)pyrrolidine-2-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for (2S)-1-(4-ethoxybenzoyl)pyrrolidine-2-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.