N-(Acetoacetyl)anthranilic acid
TL;DR: N-(Acetoacetyl)anthranilic acid (CAS 35354-86-0) is a chemical compound with molecular formula C11H11NO4 and molecular weight 221.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3-oxobutanoylamino)benzoic acid
Also Known As: 2-(3-Oxobutanamido)benzoic acid, N-(Acetoacetyl)anthranilic acid, Acetoacet-O-carboxyanilide, 2-(3-oxobutanoylamino)benzoic Acid, N-Acetoacetylanthranilic Acid
| Molecular Formula | C11H11NO4 |
|---|---|
| Molecular Weight | 221.07 g/mol |
| LogP | 1.3024 |
| Topological Polar Surface Area | 83.47 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 221.0688 |
| Heavy Atoms | 16 |
| Complexity | 439.36563 |
Chemical Identifiers
| CAS Number | 35354-86-0 |
|---|---|
| SMILES | CC(=O)CC(=O)NC1=CC=CC=C1C(=O)O |
Product Overview
N-(Acetoacetyl)anthranilic acid (CAS 35354-86-0), with molecular formula C11H11NO4 and molecular weight 221.07 g/mol. IUPAC: 2-(3-oxobutanoylamino)benzoic acid.
Chemical Property Profile of N-(Acetoacetyl)anthranilic acid
Property Insights of N-(Acetoacetyl)anthranilic acid
The XLogP value of 1.3024 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(Acetoacetyl)anthranilic acid. The TPSA of 83.47 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(Acetoacetyl)anthranilic acid. Following Lipinski's Rule of Five, N-(Acetoacetyl)anthranilic acid has 2 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 N-(Acetoacetyl)anthranilic acid?
The CAS number of N-(Acetoacetyl)anthranilic acid is 35354-86-0.
What is the molecular formula of N-(Acetoacetyl)anthranilic acid?
The molecular formula of N-(Acetoacetyl)anthranilic acid is C11H11NO4.
What is the molecular weight of N-(Acetoacetyl)anthranilic acid?
The molecular weight of N-(Acetoacetyl)anthranilic acid is 221.07 g/mol.
Where can I buy N-(Acetoacetyl)anthranilic acid?
You can request a quote for N-(Acetoacetyl)anthranilic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(Acetoacetyl)anthranilic acid?
Yes, KEHONG BIO provides custom synthesis services for N-(Acetoacetyl)anthranilic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.