![Ethyl 3-[4-(4-methylphenyl)-1-oxophthalazin-2-yl]propanoate structure](/static/products/6944/694456-49-0.webp)
Ethyl 3-[4-(4-methylphenyl)-1-oxophthalazin-2-yl]propanoate
TL;DR: Ethyl 3-[4-(4-methylphenyl)-1-oxophthalazin-2-yl]propanoate (CAS 694456-49-0) is a chemical compound with molecular formula C20H20N2O3 and molecular weight 336.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-[4-(4-methylphenyl)-1-oxophthalazin-2-yl]propanoate
Also Known As: BAS 06574837, Ethyl 3-(1-oxo-4-(p-tolyl)phthalazin-2(1H)-yl)propanoate, ethyl 3-[4-(4-methylphenyl)-1-oxophthalazin-2-yl]propanoate, ethyl 3-[4-(4-methylphenyl)-1-oxophthalazin-2(1H)-yl]propanoate, 3-(1-Oxo-4-p-tolyl-1H-phthalazin-2-yl)-propionic acid ethyl ester
| Molecular Formula | C20H20N2O3 |
|---|---|
| Molecular Weight | 336.15 g/mol |
| LogP | 3.32512 |
| Topological Polar Surface Area | 61.19 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 336.1474 |
| Heavy Atoms | 25 |
| Complexity | 958.83234 |
Chemical Identifiers
| CAS Number | 694456-49-0 |
|---|---|
| SMILES | CCOC(=O)CCN1C(=O)C2=CC=CC=C2C(=N1)C3=CC=C(C=C3)C |
Product Overview
Ethyl 3-[4-(4-methylphenyl)-1-oxophthalazin-2-yl]propanoate (CAS 694456-49-0), with molecular formula C20H20N2O3 and molecular weight 336.15 g/mol. IUPAC: ethyl 3-[4-(4-methylphenyl)-1-oxophthalazin-2-yl]propanoate.
Chemical Property Profile of Ethyl 3-[4-(4-methylphenyl)-1-oxophthalazin-2-yl]propanoate
Property Insights of Ethyl 3-[4-(4-methylphenyl)-1-oxophthalazin-2-yl]propanoate
The XLogP value of 3.32512 indicates that Ethyl 3-[4-(4-methylphenyl)-1-oxophthalazin-2-yl]propanoate 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 3-[4-(4-methylphenyl)-1-oxophthalazin-2-yl]propanoate. Following Lipinski's Rule of Five, Ethyl 3-[4-(4-methylphenyl)-1-oxophthalazin-2-yl]propanoate 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 3-[4-(4-methylphenyl)-1-oxophthalazin-2-yl]propanoate?
The CAS number of Ethyl 3-[4-(4-methylphenyl)-1-oxophthalazin-2-yl]propanoate is 694456-49-0.
What is the molecular formula of Ethyl 3-[4-(4-methylphenyl)-1-oxophthalazin-2-yl]propanoate?
The molecular formula of Ethyl 3-[4-(4-methylphenyl)-1-oxophthalazin-2-yl]propanoate is C20H20N2O3.
What is the molecular weight of Ethyl 3-[4-(4-methylphenyl)-1-oxophthalazin-2-yl]propanoate?
The molecular weight of Ethyl 3-[4-(4-methylphenyl)-1-oxophthalazin-2-yl]propanoate is 336.15 g/mol.
Where can I buy Ethyl 3-[4-(4-methylphenyl)-1-oxophthalazin-2-yl]propanoate?
You can request a quote for Ethyl 3-[4-(4-methylphenyl)-1-oxophthalazin-2-yl]propanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 3-[4-(4-methylphenyl)-1-oxophthalazin-2-yl]propanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3-[4-(4-methylphenyl)-1-oxophthalazin-2-yl]propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.