![Ethyl 2-{3-[4-(tert-butyl)benzyl]-4-oxo-3,4-dihydro-1-phthalazinyl}acetate structure](/static/products/866/866151-27-1.png)
Ethyl 2-{3-[4-(tert-butyl)benzyl]-4-oxo-3,4-dihydro-1-phthalazinyl}acetate
TL;DR: Ethyl 2-{3-[4-(tert-butyl)benzyl]-4-oxo-3,4-dihydro-1-phthalazinyl}acetate (CAS 866151-27-1) is a chemical compound with molecular formula C23H26N2O3 and molecular weight 378.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[3-[(4-tert-butylphenyl)methyl]-4-oxophthalazin-1-yl]acetate
Also Known As: ethyl 2-{3-[4-(tert-butyl)benzyl]-4-oxo-3,4-dihydro-1-phthalazinyl}acetate, ethyl 2-[3-[(4-tert-butylphenyl)methyl]-4-oxophthalazin-1-yl]acetate, ethyl 2-{3-[(4-tert-butylphenyl)methyl]-4-oxo-3,4-dihydrophthalazin-1-yl}acetate, ethyl2-{3-[(4-tert-butylphenyl)methyl]-4-oxo-3,4-dihydrophthalazin-1-yl}acetate
| Molecular Formula | C23H26N2O3 |
|---|---|
| Molecular Weight | 378.19 g/mol |
| LogP | 3.8479 |
| Topological Polar Surface Area | 61.19 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 378.19434 |
| Heavy Atoms | 28 |
| Complexity | 1044.1158 |
Chemical Identifiers
| CAS Number | 866151-27-1 |
|---|---|
| SMILES | CCOC(=O)CC1=NN(C(=O)C2=CC=CC=C21)CC3=CC=C(C=C3)C(C)(C)C |
Product Overview
Ethyl 2-{3-[4-(tert-butyl)benzyl]-4-oxo-3,4-dihydro-1-phthalazinyl}acetate (CAS 866151-27-1), with molecular formula C23H26N2O3 and molecular weight 378.19 g/mol. IUPAC: ethyl 2-[3-[(4-tert-butylphenyl)methyl]-4-oxophthalazin-1-yl]acetate.
Chemical Property Profile of Ethyl 2-{3-[4-(tert-butyl)benzyl]-4-oxo-3,4-dihydro-1-phthalazinyl}acetate
Property Insights of Ethyl 2-{3-[4-(tert-butyl)benzyl]-4-oxo-3,4-dihydro-1-phthalazinyl}acetate
The XLogP value of 3.8479 indicates that Ethyl 2-{3-[4-(tert-butyl)benzyl]-4-oxo-3,4-dihydro-1-phthalazinyl}acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.19 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2-{3-[4-(tert-butyl)benzyl]-4-oxo-3,4-dihydro-1-phthalazinyl}acetate. Following Lipinski's Rule of Five, Ethyl 2-{3-[4-(tert-butyl)benzyl]-4-oxo-3,4-dihydro-1-phthalazinyl}acetate has 0 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 Ethyl 2-{3-[4-(tert-butyl)benzyl]-4-oxo-3,4-dihydro-1-phthalazinyl}acetate?
The CAS number of Ethyl 2-{3-[4-(tert-butyl)benzyl]-4-oxo-3,4-dihydro-1-phthalazinyl}acetate is 866151-27-1.
What is the molecular formula of Ethyl 2-{3-[4-(tert-butyl)benzyl]-4-oxo-3,4-dihydro-1-phthalazinyl}acetate?
The molecular formula of Ethyl 2-{3-[4-(tert-butyl)benzyl]-4-oxo-3,4-dihydro-1-phthalazinyl}acetate is C23H26N2O3.
What is the molecular weight of Ethyl 2-{3-[4-(tert-butyl)benzyl]-4-oxo-3,4-dihydro-1-phthalazinyl}acetate?
The molecular weight of Ethyl 2-{3-[4-(tert-butyl)benzyl]-4-oxo-3,4-dihydro-1-phthalazinyl}acetate is 378.19 g/mol.
Where can I buy Ethyl 2-{3-[4-(tert-butyl)benzyl]-4-oxo-3,4-dihydro-1-phthalazinyl}acetate?
You can request a quote for Ethyl 2-{3-[4-(tert-butyl)benzyl]-4-oxo-3,4-dihydro-1-phthalazinyl}acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2-{3-[4-(tert-butyl)benzyl]-4-oxo-3,4-dihydro-1-phthalazinyl}acetate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-{3-[4-(tert-butyl)benzyl]-4-oxo-3,4-dihydro-1-phthalazinyl}acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.