![Tert-butyl 4-[[1-oxo-7-(3-phenylprop-1-ynyl)phthalazin-2-yl]methyl]benzoate structure](/static/products/658/658036-94-3.png)
Tert-butyl 4-[[1-oxo-7-(3-phenylprop-1-ynyl)phthalazin-2-yl]methyl]benzoate
TL;DR: Tert-butyl 4-[[1-oxo-7-(3-phenylprop-1-ynyl)phthalazin-2-yl]methyl]benzoate (CAS 658036-94-3) is a chemical compound with molecular formula C29H26N2O3 and molecular weight 450.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl 4-[[1-oxo-7-(3-phenylprop-1-ynyl)phthalazin-2-yl]methyl]benzoate
Also Known As: Tert-butyl 4-[[1-oxo-7-(3-phenylprop-1-ynyl)phthalazin-2-yl]methyl]benzoate, 4-[[1-Oxo-7-(3-phenyl-1-propyn-1-yl)-2(1h)-phthalazinyl]methyl]benzoic acid 1,1-dimethylethyl ester, 4-[1-oxo-7-(3-Phenyl-prop-1-ynyl)-1H-3-azaisoquinolin-2-ylmethyl]benzoic Acid tert-Butyl Ester
| Molecular Formula | C29H26N2O3 |
|---|---|
| Molecular Weight | 450.19 g/mol |
| LogP | 4.9943 |
| Topological Polar Surface Area | 61.19 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 450.19434 |
| Heavy Atoms | 34 |
| Complexity | 1434.9692 |
Chemical Identifiers
| CAS Number | 658036-94-3 |
|---|---|
| SMILES | CC(C)(C)OC(=O)C1=CC=C(C=C1)CN2C(=O)C3=C(C=CC(=C3)C#CCC4=CC=CC=C4)C=N2 |
Product Overview
Tert-butyl 4-[[1-oxo-7-(3-phenylprop-1-ynyl)phthalazin-2-yl]methyl]benzoate (CAS 658036-94-3), with molecular formula C29H26N2O3 and molecular weight 450.19 g/mol. IUPAC: tert-butyl 4-[[1-oxo-7-(3-phenylprop-1-ynyl)phthalazin-2-yl]methyl]benzoate.
Chemical Property Profile of Tert-butyl 4-[[1-oxo-7-(3-phenylprop-1-ynyl)phthalazin-2-yl]methyl]benzoate
Property Insights of Tert-butyl 4-[[1-oxo-7-(3-phenylprop-1-ynyl)phthalazin-2-yl]methyl]benzoate
The XLogP value of 4.9943 indicates that Tert-butyl 4-[[1-oxo-7-(3-phenylprop-1-ynyl)phthalazin-2-yl]methyl]benzoate 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 Tert-butyl 4-[[1-oxo-7-(3-phenylprop-1-ynyl)phthalazin-2-yl]methyl]benzoate. Following Lipinski's Rule of Five, Tert-butyl 4-[[1-oxo-7-(3-phenylprop-1-ynyl)phthalazin-2-yl]methyl]benzoate 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 Tert-butyl 4-[[1-oxo-7-(3-phenylprop-1-ynyl)phthalazin-2-yl]methyl]benzoate?
The CAS number of Tert-butyl 4-[[1-oxo-7-(3-phenylprop-1-ynyl)phthalazin-2-yl]methyl]benzoate is 658036-94-3.
What is the molecular formula of Tert-butyl 4-[[1-oxo-7-(3-phenylprop-1-ynyl)phthalazin-2-yl]methyl]benzoate?
The molecular formula of Tert-butyl 4-[[1-oxo-7-(3-phenylprop-1-ynyl)phthalazin-2-yl]methyl]benzoate is C29H26N2O3.
What is the molecular weight of Tert-butyl 4-[[1-oxo-7-(3-phenylprop-1-ynyl)phthalazin-2-yl]methyl]benzoate?
The molecular weight of Tert-butyl 4-[[1-oxo-7-(3-phenylprop-1-ynyl)phthalazin-2-yl]methyl]benzoate is 450.19 g/mol.
Where can I buy Tert-butyl 4-[[1-oxo-7-(3-phenylprop-1-ynyl)phthalazin-2-yl]methyl]benzoate?
You can request a quote for Tert-butyl 4-[[1-oxo-7-(3-phenylprop-1-ynyl)phthalazin-2-yl]methyl]benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Tert-butyl 4-[[1-oxo-7-(3-phenylprop-1-ynyl)phthalazin-2-yl]methyl]benzoate?
Yes, KEHONG BIO provides custom synthesis services for Tert-butyl 4-[[1-oxo-7-(3-phenylprop-1-ynyl)phthalazin-2-yl]methyl]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.