3'-Acetoacetamidoacetoacetanilide
TL;DR: 3'-Acetoacetamidoacetoacetanilide (CAS 13733-33-0) is a chemical compound with molecular formula C14H16N2O4 and molecular weight 276.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-oxo-N-[3-(3-oxobutanoylamino)phenyl]butanamide
Also Known As: 3'-Acetoacetamidoacetoacetanilide, Acetoacetamide, N,N'-m-phenylenebis-, Butanamide, N,N'-1,3-phenylenebis[3-oxo-, N,N'-meta-Phenylenebis(acetoacetamide), 1,3-Bis(acetoacetylamino)benzene
| Molecular Formula | C14H16N2O4 |
|---|---|
| Molecular Weight | 276.11 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 92.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 276.111 |
| Heavy Atoms | 20 |
| Complexity | 370.0 |
Chemical Identifiers
| CAS Number | 13733-33-0 |
|---|---|
| SMILES | CC(=O)CC(=O)NC1=CC(=CC=C1)NC(=O)CC(=O)C |
| InChIKey | MSAABPAPRGCKNY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3'-Acetoacetamidoacetoacetanilide (CAS 13733-33-0), with molecular formula C14H16N2O4 and molecular weight 276.11 g/mol. IUPAC: 3-oxo-N-[3-(3-oxobutanoylamino)phenyl]butanamide.
Chemical Property Profile of 3'-Acetoacetamidoacetoacetanilide
Property Insights of 3'-Acetoacetamidoacetoacetanilide
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3'-Acetoacetamidoacetoacetanilide. The TPSA of 92.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 3'-Acetoacetamidoacetoacetanilide. Following Lipinski's Rule of Five, 3'-Acetoacetamidoacetoacetanilide 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 3'-Acetoacetamidoacetoacetanilide?
The CAS number of 3'-Acetoacetamidoacetoacetanilide is 13733-33-0.
What is the molecular formula of 3'-Acetoacetamidoacetoacetanilide?
The molecular formula of 3'-Acetoacetamidoacetoacetanilide is C14H16N2O4.
What is the molecular weight of 3'-Acetoacetamidoacetoacetanilide?
The molecular weight of 3'-Acetoacetamidoacetoacetanilide is 276.11 g/mol.
Where can I buy 3'-Acetoacetamidoacetoacetanilide?
You can request a quote for 3'-Acetoacetamidoacetoacetanilide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3'-Acetoacetamidoacetoacetanilide?
Yes, KEHONG BIO provides custom synthesis services for 3'-Acetoacetamidoacetoacetanilide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.