p-Carboxyacetoacetanilide
TL;DR: p-Carboxyacetoacetanilide (CAS 34376-33-5) 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.
4-(3-oxobutanoylamino)benzoic acid
Also Known As: p-Carboxyacetoacetanilide, p-Acetoacetamidobenzoic acid, 4-(3-oxobutanoylamino)benzoic acid, 4-acetoacetylamino-benzoic acid, 4-(Acetoacetylamino)benzoic acid
| Molecular Formula | C11H11NO4 |
|---|---|
| Molecular Weight | 221.07 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 83.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 221.0688 |
| Heavy Atoms | 16 |
| Complexity | 292.0 |
Chemical Identifiers
| CAS Number | 34376-33-5 |
|---|---|
| SMILES | CC(=O)CC(=O)NC1=CC=C(C=C1)C(=O)O |
| InChIKey | NTVPMGIWCMTNMD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
p-Carboxyacetoacetanilide (CAS 34376-33-5), with molecular formula C11H11NO4 and molecular weight 221.07 g/mol. IUPAC: 4-(3-oxobutanoylamino)benzoic acid.
Chemical Property Profile of p-Carboxyacetoacetanilide
Property Insights of p-Carboxyacetoacetanilide
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for p-Carboxyacetoacetanilide. The TPSA of 83.5 Ų falls within the moderate polarity range, balancing permeability and solubility for p-Carboxyacetoacetanilide. Following Lipinski's Rule of Five, p-Carboxyacetoacetanilide has 2 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 p-Carboxyacetoacetanilide?
The CAS number of p-Carboxyacetoacetanilide is 34376-33-5.
What is the molecular formula of p-Carboxyacetoacetanilide?
The molecular formula of p-Carboxyacetoacetanilide is C11H11NO4.
What is the molecular weight of p-Carboxyacetoacetanilide?
The molecular weight of p-Carboxyacetoacetanilide is 221.07 g/mol.
Where can I buy p-Carboxyacetoacetanilide?
You can request a quote for p-Carboxyacetoacetanilide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for p-Carboxyacetoacetanilide?
Yes, KEHONG BIO provides custom synthesis services for p-Carboxyacetoacetanilide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.