Methyl 3-(2-oxopyrrolidin-1-yl)benzoate
TL;DR: Methyl 3-(2-oxopyrrolidin-1-yl)benzoate (CAS 329205-78-9) is a chemical compound with molecular formula C12H13NO3 and molecular weight 219.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-(2-oxopyrrolidin-1-yl)benzoate
Also Known As: methyl 3-(2-oxopyrrolidin-1-yl)benzoate, mGluR5 Antagonist,MTEP, methyl 3-(2-oxo-1-pyrrolidinyl)benzoate, methyl 3-(2-oxopyrrolidinyl)benzoate, methyl3-(2-oxopyrrolidin-1-yl)benzoate
| Molecular Formula | C12H13NO3 |
|---|---|
| Molecular Weight | 219.09 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 46.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 219.08954 |
| Heavy Atoms | 16 |
| Complexity | 290.0 |
Chemical Identifiers
| CAS Number | 329205-78-9 |
|---|---|
| SMILES | COC(=O)C1=CC(=CC=C1)N2CCCC2=O |
| InChIKey | JTVFAEPZESYNNJ-UHFFFAOYSA-N |
Product Overview
Methyl 3-(2-oxopyrrolidin-1-yl)benzoate (CAS 329205-78-9), with molecular formula C12H13NO3 and molecular weight 219.09 g/mol. IUPAC: methyl 3-(2-oxopyrrolidin-1-yl)benzoate.
Chemical Property Profile of Methyl 3-(2-oxopyrrolidin-1-yl)benzoate
Property Insights of Methyl 3-(2-oxopyrrolidin-1-yl)benzoate
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 3-(2-oxopyrrolidin-1-yl)benzoate. With a topological polar surface area (TPSA) of 46.6 Ų, Methyl 3-(2-oxopyrrolidin-1-yl)benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 3-(2-oxopyrrolidin-1-yl)benzoate has 0 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 Methyl 3-(2-oxopyrrolidin-1-yl)benzoate?
The CAS number of Methyl 3-(2-oxopyrrolidin-1-yl)benzoate is 329205-78-9.
What is the molecular formula of Methyl 3-(2-oxopyrrolidin-1-yl)benzoate?
The molecular formula of Methyl 3-(2-oxopyrrolidin-1-yl)benzoate is C12H13NO3.
What is the molecular weight of Methyl 3-(2-oxopyrrolidin-1-yl)benzoate?
The molecular weight of Methyl 3-(2-oxopyrrolidin-1-yl)benzoate is 219.09 g/mol.
Where can I buy Methyl 3-(2-oxopyrrolidin-1-yl)benzoate?
You can request a quote for Methyl 3-(2-oxopyrrolidin-1-yl)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 3-(2-oxopyrrolidin-1-yl)benzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-(2-oxopyrrolidin-1-yl)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.