(3S)-1-(5-chloro-2-methoxyphenyl)-5-oxopyrrolidine-3-carboxylic acid
TL;DR: (3S)-1-(5-chloro-2-methoxyphenyl)-5-oxopyrrolidine-3-carboxylic acid (CAS 63675-21-8) is a chemical compound with molecular formula C12H12ClNO4 and molecular weight 269.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3S)-1-(5-chloro-2-methoxyphenyl)-5-oxopyrrolidine-3-carboxylic acid
Also Known As: 1-(5-chloro-2-methoxy-phenyl)-5-oxo-pyrrolidine-3-carboxylic Acid, 1-(5-chloro-2-methoxyphenyl)-5-oxo-3-pyrrolidinecarboxylic acid, (3S)-1-(5-chloro-2-methoxyphenyl)-5-oxopyrrolidine-3-carboxylic acid
| Molecular Formula | C12H12ClNO4 |
|---|---|
| Molecular Weight | 269.05 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 66.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 269.04547 |
| Heavy Atoms | 18 |
| Complexity | 349.0 |
Chemical Identifiers
| CAS Number | 63675-21-8 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)Cl)N2C[C@H](CC2=O)C(=O)O |
| InChIKey | QLLPDFKYJGBZCA-ZETCQYMHSA-N |
Product Overview
(3S)-1-(5-chloro-2-methoxyphenyl)-5-oxopyrrolidine-3-carboxylic acid (CAS 63675-21-8), with molecular formula C12H12ClNO4 and molecular weight 269.05 g/mol. IUPAC: (3S)-1-(5-chloro-2-methoxyphenyl)-5-oxopyrrolidine-3-carboxylic acid.
Chemical Property Profile of (3S)-1-(5-chloro-2-methoxyphenyl)-5-oxopyrrolidine-3-carboxylic acid
Property Insights of (3S)-1-(5-chloro-2-methoxyphenyl)-5-oxopyrrolidine-3-carboxylic acid
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (3S)-1-(5-chloro-2-methoxyphenyl)-5-oxopyrrolidine-3-carboxylic acid. The TPSA of 66.8 Ų falls within the moderate polarity range, balancing permeability and solubility for (3S)-1-(5-chloro-2-methoxyphenyl)-5-oxopyrrolidine-3-carboxylic acid. Following Lipinski's Rule of Five, (3S)-1-(5-chloro-2-methoxyphenyl)-5-oxopyrrolidine-3-carboxylic acid 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 (3S)-1-(5-chloro-2-methoxyphenyl)-5-oxopyrrolidine-3-carboxylic acid?
The CAS number of (3S)-1-(5-chloro-2-methoxyphenyl)-5-oxopyrrolidine-3-carboxylic acid is 63675-21-8.
What is the molecular formula of (3S)-1-(5-chloro-2-methoxyphenyl)-5-oxopyrrolidine-3-carboxylic acid?
The molecular formula of (3S)-1-(5-chloro-2-methoxyphenyl)-5-oxopyrrolidine-3-carboxylic acid is C12H12ClNO4.
What is the molecular weight of (3S)-1-(5-chloro-2-methoxyphenyl)-5-oxopyrrolidine-3-carboxylic acid?
The molecular weight of (3S)-1-(5-chloro-2-methoxyphenyl)-5-oxopyrrolidine-3-carboxylic acid is 269.05 g/mol.
Where can I buy (3S)-1-(5-chloro-2-methoxyphenyl)-5-oxopyrrolidine-3-carboxylic acid?
You can request a quote for (3S)-1-(5-chloro-2-methoxyphenyl)-5-oxopyrrolidine-3-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3S)-1-(5-chloro-2-methoxyphenyl)-5-oxopyrrolidine-3-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for (3S)-1-(5-chloro-2-methoxyphenyl)-5-oxopyrrolidine-3-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.