(3S)-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxylic acid
TL;DR: (3S)-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxylic acid (CAS 63674-47-5) is a chemical compound with molecular formula C12H13NO4 and molecular weight 235.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3S)-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxylic acid
Also Known As: BAS 03816883, (3S)-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxylic acid
| Molecular Formula | C12H13NO4 |
|---|---|
| Molecular Weight | 235.08 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 66.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 235.08446 |
| Heavy Atoms | 17 |
| Complexity | 318.0 |
Chemical Identifiers
| CAS Number | 63674-47-5 |
|---|---|
| SMILES | COC1=CC=CC(=C1)N2C[C@H](CC2=O)C(=O)O |
| InChIKey | UFHSYKGLJVRMNV-QMMMGPOBSA-N |
Product Overview
(3S)-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxylic acid (CAS 63674-47-5), with molecular formula C12H13NO4 and molecular weight 235.08 g/mol. IUPAC: (3S)-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxylic acid.
Chemical Property Profile of (3S)-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxylic acid
Property Insights of (3S)-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxylic acid
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (3S)-1-(3-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-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxylic acid. Following Lipinski's Rule of Five, (3S)-1-(3-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-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxylic acid?
The CAS number of (3S)-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxylic acid is 63674-47-5.
What is the molecular formula of (3S)-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxylic acid?
The molecular formula of (3S)-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxylic acid is C12H13NO4.
What is the molecular weight of (3S)-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxylic acid?
The molecular weight of (3S)-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxylic acid is 235.08 g/mol.
Where can I buy (3S)-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxylic acid?
You can request a quote for (3S)-1-(3-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-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for (3S)-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.