Benzoic acid, 3-methyl-, 2,5-dioxo-1-pyrrolidinyl ester
TL;DR: Benzoic acid, 3-methyl-, 2,5-dioxo-1-pyrrolidinyl ester (CAS 110920-15-5) is a chemical compound with molecular formula C12H11NO4 and molecular weight 233.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2,5-dioxopyrrolidin-1-yl) 3-methylbenzoate
Also Known As: (2,5-dioxopyrrolidin-1-yl) 3-methylbenzoate, 2,5-DIOXOPYRROLIDIN-1-YL 3-METHYLBENZOATE, 2,5-Pyrrolidinedione, 1-[(3-methylbenzoyl)oxy]-, 3-Methylbenzoic acid succinimidyl ester, 1-[(3-Methylbenzoyl)oxy]pyrrolidine-2,5-dione
| Molecular Formula | C12H11NO4 |
|---|---|
| Molecular Weight | 233.07 g/mol |
| LogP | 1.21582 |
| Topological Polar Surface Area | 63.68 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 233.0688 |
| Heavy Atoms | 17 |
| Complexity | 479.03394 |
Chemical Identifiers
| CAS Number | 110920-15-5 |
|---|---|
| SMILES | CC1=CC(=CC=C1)C(=O)ON2C(=O)CCC2=O |
Product Overview
Benzoic acid, 3-methyl-, 2,5-dioxo-1-pyrrolidinyl ester (CAS 110920-15-5), with molecular formula C12H11NO4 and molecular weight 233.07 g/mol. IUPAC: (2,5-dioxopyrrolidin-1-yl) 3-methylbenzoate.
Chemical Property Profile of Benzoic acid, 3-methyl-, 2,5-dioxo-1-pyrrolidinyl ester
Property Insights of Benzoic acid, 3-methyl-, 2,5-dioxo-1-pyrrolidinyl ester
The XLogP value of 1.21582 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzoic acid, 3-methyl-, 2,5-dioxo-1-pyrrolidinyl ester. The TPSA of 63.68 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzoic acid, 3-methyl-, 2,5-dioxo-1-pyrrolidinyl ester. Following Lipinski's Rule of Five, Benzoic acid, 3-methyl-, 2,5-dioxo-1-pyrrolidinyl ester has 0 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 Benzoic acid, 3-methyl-, 2,5-dioxo-1-pyrrolidinyl ester?
The CAS number of Benzoic acid, 3-methyl-, 2,5-dioxo-1-pyrrolidinyl ester is 110920-15-5.
What is the molecular formula of Benzoic acid, 3-methyl-, 2,5-dioxo-1-pyrrolidinyl ester?
The molecular formula of Benzoic acid, 3-methyl-, 2,5-dioxo-1-pyrrolidinyl ester is C12H11NO4.
What is the molecular weight of Benzoic acid, 3-methyl-, 2,5-dioxo-1-pyrrolidinyl ester?
The molecular weight of Benzoic acid, 3-methyl-, 2,5-dioxo-1-pyrrolidinyl ester is 233.07 g/mol.
Where can I buy Benzoic acid, 3-methyl-, 2,5-dioxo-1-pyrrolidinyl ester?
You can request a quote for Benzoic acid, 3-methyl-, 2,5-dioxo-1-pyrrolidinyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzoic acid, 3-methyl-, 2,5-dioxo-1-pyrrolidinyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 3-methyl-, 2,5-dioxo-1-pyrrolidinyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.