2-Benzyl-2-((2-carboxybenzoyl)amino)malonic acid
TL;DR: 2-Benzyl-2-((2-carboxybenzoyl)amino)malonic acid (CAS 6312-54-5) is a chemical compound with molecular formula C18H15NO7 and molecular weight 357.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-benzyl-2-[(2-carboxybenzoyl)amino]propanedioic acid
Also Known As: Benzyl(o-carboxybenzamido)malonic acid, NIOSH/OO0532500, 2-Benzyl-2-((2-carboxybenzoyl)amino)malonic acid, 2-benzyl-2-[(2-carboxybenzoyl)amino]propanedioic acid, benzyl[(2-carboxybenzoyl)amino]propanedioic acid
| Molecular Formula | C18H15NO7 |
|---|---|
| Molecular Weight | 357.08 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 141.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 357.08484 |
| Heavy Atoms | 26 |
| Complexity | 554.0 |
Chemical Identifiers
| CAS Number | 6312-54-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)CC(C(=O)O)(C(=O)O)NC(=O)C2=CC=CC=C2C(=O)O |
| InChIKey | HNKGPAFORKQASZ-UHFFFAOYSA-N |
Product Overview
2-Benzyl-2-((2-carboxybenzoyl)amino)malonic acid (CAS 6312-54-5), with molecular formula C18H15NO7 and molecular weight 357.08 g/mol. IUPAC: 2-benzyl-2-[(2-carboxybenzoyl)amino]propanedioic acid.
Chemical Property Profile of 2-Benzyl-2-((2-carboxybenzoyl)amino)malonic acid
Property Insights of 2-Benzyl-2-((2-carboxybenzoyl)amino)malonic acid
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Benzyl-2-((2-carboxybenzoyl)amino)malonic acid. The TPSA of 141.0 Ų indicates high polarity, suggesting 2-Benzyl-2-((2-carboxybenzoyl)amino)malonic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2-Benzyl-2-((2-carboxybenzoyl)amino)malonic acid has 4 hydrogen bond donor(s) and 7 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-Benzyl-2-((2-carboxybenzoyl)amino)malonic acid?
The CAS number of 2-Benzyl-2-((2-carboxybenzoyl)amino)malonic acid is 6312-54-5.
What is the molecular formula of 2-Benzyl-2-((2-carboxybenzoyl)amino)malonic acid?
The molecular formula of 2-Benzyl-2-((2-carboxybenzoyl)amino)malonic acid is C18H15NO7.
What is the molecular weight of 2-Benzyl-2-((2-carboxybenzoyl)amino)malonic acid?
The molecular weight of 2-Benzyl-2-((2-carboxybenzoyl)amino)malonic acid is 357.08 g/mol.
Where can I buy 2-Benzyl-2-((2-carboxybenzoyl)amino)malonic acid?
You can request a quote for 2-Benzyl-2-((2-carboxybenzoyl)amino)malonic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Benzyl-2-((2-carboxybenzoyl)amino)malonic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-Benzyl-2-((2-carboxybenzoyl)amino)malonic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.