diisoamyl oxalate
TL;DR: diisoamyl oxalate (CAS 2008-84-6) is a chemical compound with molecular formula C21H20N4O5 and molecular weight 408.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[(4-ethoxycarbonylphenyl)diazenyl]-5-oxo-1-phenyl-4H-pyrazole-3-carboxylate
Also Known As: diisoamyl oxalate, ethyl 4-[[4-(ethoxycarbonyl)phenyl]azo]-4,5-dihydro-5-oxo-1-phenyl-1h-pyrazole-3-carboxylate, Ethyl 4-((4-(ethoxycarbonyl)phenyl)azo)-4,5-dihydro-5-oxo-1-phenyl-1H-pyrazole-3-carboxylate, ethyl 4-[(4-ethoxycarbonylphenyl)diazenyl]-5-oxo-1-phenyl-4H-pyrazole-3-carboxylate, ethyl4-[[4- phenyl]azo]-4,5-dihydro-5-oxo-1-phenyl-1H-pyrazole-3-carboxylate
| Molecular Formula | C21H20N4O5 |
|---|---|
| Molecular Weight | 408.14 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 110.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 408.14337 |
| Heavy Atoms | 30 |
| Complexity | 694.0 |
Chemical Identifiers
| CAS Number | 2008-84-6 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)N=NC2C(=NN(C2=O)C3=CC=CC=C3)C(=O)OCC |
| InChIKey | FKFWUHISCWCMPI-UHFFFAOYSA-N |
Product Overview
diisoamyl oxalate (CAS 2008-84-6), with molecular formula C21H20N4O5 and molecular weight 408.14 g/mol. IUPAC: ethyl 4-[(4-ethoxycarbonylphenyl)diazenyl]-5-oxo-1-phenyl-4H-pyrazole-3-carboxylate.
Chemical Property Profile of diisoamyl oxalate
Property Insights of diisoamyl oxalate
The XLogP value of 3.9 indicates that diisoamyl oxalate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 110.0 Ų falls within the moderate polarity range, balancing permeability and solubility for diisoamyl oxalate. Following Lipinski's Rule of Five, diisoamyl oxalate has 0 hydrogen bond donor(s) and 8 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 diisoamyl oxalate?
The CAS number of diisoamyl oxalate is 2008-84-6.
What is the molecular formula of diisoamyl oxalate?
The molecular formula of diisoamyl oxalate is C21H20N4O5.
What is the molecular weight of diisoamyl oxalate?
The molecular weight of diisoamyl oxalate is 408.14 g/mol.
Where can I buy diisoamyl oxalate?
You can request a quote for diisoamyl oxalate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for diisoamyl oxalate?
Yes, KEHONG BIO provides custom synthesis services for diisoamyl oxalate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.