4-Methyl-3-(2-oxopyrrolidin-1-yl)benzoic acid
TL;DR: 4-Methyl-3-(2-oxopyrrolidin-1-yl)benzoic acid (CAS 896683-75-3) 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.
4-methyl-3-(2-oxopyrrolidin-1-yl)benzoic acid
Also Known As: ChemDiv2_002840, 4-methyl-3-(2-oxopyrrolidin-1-yl)benzoic acid, 4-Methyl-3-(2-oxo-1-pyrrolidinyl)benzoic Acid
| Molecular Formula | C12H13NO3 |
|---|---|
| Molecular Weight | 219.09 g/mol |
| LogP | 1.82002 |
| Topological Polar Surface Area | 57.61 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 219.08954 |
| Heavy Atoms | 16 |
| Complexity | 453.57715 |
Chemical Identifiers
| CAS Number | 896683-75-3 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)C(=O)O)N2CCCC2=O |
Product Overview
4-Methyl-3-(2-oxopyrrolidin-1-yl)benzoic acid (CAS 896683-75-3), with molecular formula C12H13NO3 and molecular weight 219.09 g/mol. IUPAC: 4-methyl-3-(2-oxopyrrolidin-1-yl)benzoic acid.
Chemical Property Profile of 4-Methyl-3-(2-oxopyrrolidin-1-yl)benzoic acid
Property Insights of 4-Methyl-3-(2-oxopyrrolidin-1-yl)benzoic acid
The XLogP value of 1.82002 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Methyl-3-(2-oxopyrrolidin-1-yl)benzoic acid. With a topological polar surface area (TPSA) of 57.61 Ų, 4-Methyl-3-(2-oxopyrrolidin-1-yl)benzoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Methyl-3-(2-oxopyrrolidin-1-yl)benzoic acid has 1 hydrogen bond donor(s) and 2 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 4-Methyl-3-(2-oxopyrrolidin-1-yl)benzoic acid?
The CAS number of 4-Methyl-3-(2-oxopyrrolidin-1-yl)benzoic acid is 896683-75-3.
What is the molecular formula of 4-Methyl-3-(2-oxopyrrolidin-1-yl)benzoic acid?
The molecular formula of 4-Methyl-3-(2-oxopyrrolidin-1-yl)benzoic acid is C12H13NO3.
What is the molecular weight of 4-Methyl-3-(2-oxopyrrolidin-1-yl)benzoic acid?
The molecular weight of 4-Methyl-3-(2-oxopyrrolidin-1-yl)benzoic acid is 219.09 g/mol.
Where can I buy 4-Methyl-3-(2-oxopyrrolidin-1-yl)benzoic acid?
You can request a quote for 4-Methyl-3-(2-oxopyrrolidin-1-yl)benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Methyl-3-(2-oxopyrrolidin-1-yl)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-Methyl-3-(2-oxopyrrolidin-1-yl)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.