2-(1,3-Benzodioxol-5-YL)-1-methyl-5-oxo-3-pyrrolidinecarboxylic acid
TL;DR: 2-(1,3-Benzodioxol-5-YL)-1-methyl-5-oxo-3-pyrrolidinecarboxylic acid (CAS 75810-48-9) is a chemical compound with molecular formula C13H13NO5 and molecular weight 263.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1,3-benzodioxol-5-yl)-1-methyl-5-oxopyrrolidine-3-carboxylic acid
Also Known As: 2-(1,3-BENZODIOXOL-5-YL)-1-METHYL-5-OXO-3-PYRROLIDINECARBOXYLIC ACID, 2-(1,3-benzodioxol-5-yl)-1-methyl-5-oxopyrrolidine-3-carboxylic acid, 2-(2H-1,3-benzodioxol-5-yl)-1-methyl-5-oxopyrrolidine-3-carboxylic acid, 2-(Benzo[d][1,3]dioxol-5-yl)-1-methyl-5-oxopyrrolidine-3-carboxylic acid, 2-(Benzo[d][1,3]dioxol-5-yl)-1-methyl-5-oxopyrrolidine-3-carboxylicacid
| Molecular Formula | C13H13NO5 |
|---|---|
| Molecular Weight | 263.08 g/mol |
| LogP | 1.0193 |
| Topological Polar Surface Area | 76.07 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 263.07938 |
| Heavy Atoms | 19 |
| Complexity | 555.9646 |
Chemical Identifiers
| CAS Number | 75810-48-9 |
|---|---|
| SMILES | CN1C(C(CC1=O)C(=O)O)C2=CC3=C(C=C2)OCO3 |
Product Overview
2-(1,3-Benzodioxol-5-YL)-1-methyl-5-oxo-3-pyrrolidinecarboxylic acid (CAS 75810-48-9), with molecular formula C13H13NO5 and molecular weight 263.08 g/mol. IUPAC: 2-(1,3-benzodioxol-5-yl)-1-methyl-5-oxopyrrolidine-3-carboxylic acid.
Chemical Property Profile of 2-(1,3-Benzodioxol-5-YL)-1-methyl-5-oxo-3-pyrrolidinecarboxylic acid
Property Insights of 2-(1,3-Benzodioxol-5-YL)-1-methyl-5-oxo-3-pyrrolidinecarboxylic acid
The XLogP value of 1.0193 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(1,3-Benzodioxol-5-YL)-1-methyl-5-oxo-3-pyrrolidinecarboxylic acid. The TPSA of 76.07 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(1,3-Benzodioxol-5-YL)-1-methyl-5-oxo-3-pyrrolidinecarboxylic acid. Following Lipinski's Rule of Five, 2-(1,3-Benzodioxol-5-YL)-1-methyl-5-oxo-3-pyrrolidinecarboxylic 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 2-(1,3-Benzodioxol-5-YL)-1-methyl-5-oxo-3-pyrrolidinecarboxylic acid?
The CAS number of 2-(1,3-Benzodioxol-5-YL)-1-methyl-5-oxo-3-pyrrolidinecarboxylic acid is 75810-48-9.
What is the molecular formula of 2-(1,3-Benzodioxol-5-YL)-1-methyl-5-oxo-3-pyrrolidinecarboxylic acid?
The molecular formula of 2-(1,3-Benzodioxol-5-YL)-1-methyl-5-oxo-3-pyrrolidinecarboxylic acid is C13H13NO5.
What is the molecular weight of 2-(1,3-Benzodioxol-5-YL)-1-methyl-5-oxo-3-pyrrolidinecarboxylic acid?
The molecular weight of 2-(1,3-Benzodioxol-5-YL)-1-methyl-5-oxo-3-pyrrolidinecarboxylic acid is 263.08 g/mol.
Where can I buy 2-(1,3-Benzodioxol-5-YL)-1-methyl-5-oxo-3-pyrrolidinecarboxylic acid?
You can request a quote for 2-(1,3-Benzodioxol-5-YL)-1-methyl-5-oxo-3-pyrrolidinecarboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(1,3-Benzodioxol-5-YL)-1-methyl-5-oxo-3-pyrrolidinecarboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(1,3-Benzodioxol-5-YL)-1-methyl-5-oxo-3-pyrrolidinecarboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.