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Ethyl 2-[2-(4-methylphenyl)diazenyl]-3-oxobutanoate
TL;DR: Ethyl 2-[2-(4-methylphenyl)diazenyl]-3-oxobutanoate (CAS 5869-58-9) is a chemical compound with molecular formula C13H16N2O3 and molecular weight 248.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[(4-methylphenyl)diazenyl]-3-oxobutanoate
Also Known As: 4-Tolyl-azo-acetessigester, 4-Tolyl-azo-acetessigester [German], 3-Oxo-2-(p-tolylazo)butyric acid ethyl ester, ACETOACETIC ACID, 2-(p-TOLYLAZO)-, ETHYL ESTER, ethyl 2-[(4-methylphenyl)diazenyl]-3-oxobutanoate
| Molecular Formula | C13H16N2O3 |
|---|---|
| Molecular Weight | 248.12 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 68.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 248.11609 |
| Heavy Atoms | 18 |
| Complexity | 320.0 |
Chemical Identifiers
| CAS Number | 5869-58-9 |
|---|---|
| SMILES | CCOC(=O)C(C(=O)C)N=NC1=CC=C(C=C1)C |
| InChIKey | BBBCJFWZAQMHLR-UHFFFAOYSA-N |
Product Overview
Ethyl 2-[2-(4-methylphenyl)diazenyl]-3-oxobutanoate (CAS 5869-58-9), with molecular formula C13H16N2O3 and molecular weight 248.12 g/mol. IUPAC: ethyl 2-[(4-methylphenyl)diazenyl]-3-oxobutanoate.
Chemical Property Profile of Ethyl 2-[2-(4-methylphenyl)diazenyl]-3-oxobutanoate
Property Insights of Ethyl 2-[2-(4-methylphenyl)diazenyl]-3-oxobutanoate
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-[2-(4-methylphenyl)diazenyl]-3-oxobutanoate. The TPSA of 68.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2-[2-(4-methylphenyl)diazenyl]-3-oxobutanoate. Following Lipinski's Rule of Five, Ethyl 2-[2-(4-methylphenyl)diazenyl]-3-oxobutanoate has 0 hydrogen bond donor(s) and 5 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 Ethyl 2-[2-(4-methylphenyl)diazenyl]-3-oxobutanoate?
The CAS number of Ethyl 2-[2-(4-methylphenyl)diazenyl]-3-oxobutanoate is 5869-58-9.
What is the molecular formula of Ethyl 2-[2-(4-methylphenyl)diazenyl]-3-oxobutanoate?
The molecular formula of Ethyl 2-[2-(4-methylphenyl)diazenyl]-3-oxobutanoate is C13H16N2O3.
What is the molecular weight of Ethyl 2-[2-(4-methylphenyl)diazenyl]-3-oxobutanoate?
The molecular weight of Ethyl 2-[2-(4-methylphenyl)diazenyl]-3-oxobutanoate is 248.12 g/mol.
Where can I buy Ethyl 2-[2-(4-methylphenyl)diazenyl]-3-oxobutanoate?
You can request a quote for Ethyl 2-[2-(4-methylphenyl)diazenyl]-3-oxobutanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2-[2-(4-methylphenyl)diazenyl]-3-oxobutanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-[2-(4-methylphenyl)diazenyl]-3-oxobutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.