2-((p-Acetylphenyl)azo)acetoacetic acid ethyl ester
TL;DR: 2-((p-Acetylphenyl)azo)acetoacetic acid ethyl ester (CAS 3701-28-8) 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.
ethyl 2-[(4-acetylphenyl)diazenyl]-3-oxobutanoate
Also Known As: 4-Acetyl-phenyl-azo-acetessigester, 4-Acetyl-phenyl-azo-acetessigester [German], F 2317, 2-((p-Acetylphenyl)azo)acetoacetic acid ethyl ester, ACETOACETIC ACID, 2-((p-ACETYLPHENYL)AZO)-, ETHYL ESTER
| Molecular Formula | C14H16N2O4 |
|---|---|
| Molecular Weight | 276.11 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 85.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 276.111 |
| Heavy Atoms | 20 |
| Complexity | 398.0 |
Chemical Identifiers
| CAS Number | 3701-28-8 |
|---|---|
| SMILES | CCOC(=O)C(C(=O)C)N=NC1=CC=C(C=C1)C(=O)C |
| InChIKey | TXRYORLUIGDKCX-UHFFFAOYSA-N |
Product Overview
2-((p-Acetylphenyl)azo)acetoacetic acid ethyl ester (CAS 3701-28-8), with molecular formula C14H16N2O4 and molecular weight 276.11 g/mol. IUPAC: ethyl 2-[(4-acetylphenyl)diazenyl]-3-oxobutanoate.
Chemical Property Profile of 2-((p-Acetylphenyl)azo)acetoacetic acid ethyl ester
Property Insights of 2-((p-Acetylphenyl)azo)acetoacetic acid ethyl ester
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-((p-Acetylphenyl)azo)acetoacetic acid ethyl ester. The TPSA of 85.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((p-Acetylphenyl)azo)acetoacetic acid ethyl ester. Following Lipinski's Rule of Five, 2-((p-Acetylphenyl)azo)acetoacetic acid ethyl ester has 0 hydrogen bond donor(s) and 6 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-((p-Acetylphenyl)azo)acetoacetic acid ethyl ester?
The CAS number of 2-((p-Acetylphenyl)azo)acetoacetic acid ethyl ester is 3701-28-8.
What is the molecular formula of 2-((p-Acetylphenyl)azo)acetoacetic acid ethyl ester?
The molecular formula of 2-((p-Acetylphenyl)azo)acetoacetic acid ethyl ester is C14H16N2O4.
What is the molecular weight of 2-((p-Acetylphenyl)azo)acetoacetic acid ethyl ester?
The molecular weight of 2-((p-Acetylphenyl)azo)acetoacetic acid ethyl ester is 276.11 g/mol.
Where can I buy 2-((p-Acetylphenyl)azo)acetoacetic acid ethyl ester?
You can request a quote for 2-((p-Acetylphenyl)azo)acetoacetic acid ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-((p-Acetylphenyl)azo)acetoacetic acid ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 2-((p-Acetylphenyl)azo)acetoacetic acid ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.