3-氧代-2-(间甲苯基偶氮)丁酸乙酯
TL;DR: 3-氧代-2-(间甲苯基偶氮)丁酸乙酯 (CAS 5869-57-8) 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.
3-氧代-2-(间甲苯基偶氮)丁酸乙酯
ethyl 2-[(3-methylphenyl)diazenyl]-3-oxobutanoate
Also Known As: 3-Tolyl-azo-acetessigester, 3-Tolyl-azo-acetessigester [German], ethyl(m-methylphenyazo) acetoacetate, 3-Oxo-2-(m-tolylazo)butyric acid ethyl ester, 2-(M-TOLYLAZO)ACETOACETIC ACID ETHYL ESTER
| 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 | 328.0 |
Chemical Identifiers
| CAS Number | 5869-57-8 |
|---|---|
| SMILES | CCOC(=O)C(C(=O)C)N=NC1=CC=CC(=C1)C |
| InChIKey | WKQCFWFHPATKJD-UHFFFAOYSA-N |
Product Overview
3-氧代-2-(间甲苯基偶氮)丁酸乙酯 (CAS 5869-57-8), with molecular formula C13H16N2O3 and molecular weight 248.12 g/mol. IUPAC: ethyl 2-[(3-methylphenyl)diazenyl]-3-oxobutanoate.
Chemical Property Profile of 3-氧代-2-(间甲苯基偶氮)丁酸乙酯
Property Insights of 3-氧代-2-(间甲苯基偶氮)丁酸乙酯
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-氧代-2-(间甲苯基偶氮)丁酸乙酯. The TPSA of 68.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-氧代-2-(间甲苯基偶氮)丁酸乙酯. Following Lipinski's Rule of Five, 3-氧代-2-(间甲苯基偶氮)丁酸乙酯 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 3-氧代-2-(间甲苯基偶氮)丁酸乙酯?
The CAS number of 3-氧代-2-(间甲苯基偶氮)丁酸乙酯 is 5869-57-8.
What is the molecular formula of 3-氧代-2-(间甲苯基偶氮)丁酸乙酯?
The molecular formula of 3-氧代-2-(间甲苯基偶氮)丁酸乙酯 is C13H16N2O3.
What is the molecular weight of 3-氧代-2-(间甲苯基偶氮)丁酸乙酯?
The molecular weight of 3-氧代-2-(间甲苯基偶氮)丁酸乙酯 is 248.12 g/mol.
Where can I buy 3-氧代-2-(间甲苯基偶氮)丁酸乙酯?
You can request a quote for 3-氧代-2-(间甲苯基偶氮)丁酸乙酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-氧代-2-(间甲苯基偶氮)丁酸乙酯?
Yes, KEHONG BIO provides custom synthesis services for 3-氧代-2-(间甲苯基偶氮)丁酸乙酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.