![2-[4-(4-Methylphenyl)-1-oxophthalazin-3-ium-2-yl]acetate structure](/static/products/3753/375351-84-1.webp)
2-[4-(4-Methylphenyl)-1-oxophthalazin-3-ium-2-yl]acetate
TL;DR: 2-[4-(4-Methylphenyl)-1-oxophthalazin-3-ium-2-yl]acetate (CAS 375351-84-1) is a chemical compound with molecular formula C17H14N2O3 and molecular weight 294.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-(4-methylphenyl)-1-oxophthalazin-2-yl]acetic acid
Also Known As: BAS 02869502, (1-Oxo-4-p-tolyl-1H-phthalazin-2-yl)-acetic acid, 2-(1-oxo-4-(p-tolyl)phthalazin-2(1H)-yl)acetic acid, 2-[4-(4-methylphenyl)-1-oxophthalazin-2-yl]acetic acid, 2-[4-(4-methylphenyl)-1-oxophthalazin-3-ium-2-yl]acetate
| Molecular Formula | C17H14N2O3 |
|---|---|
| Molecular Weight | 294.10 g/mol |
| LogP | 2.45652 |
| Topological Polar Surface Area | 72.19 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 294.10043 |
| Heavy Atoms | 22 |
| Complexity | 911.3305 |
Chemical Identifiers
| CAS Number | 375351-84-1 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C2=NN(C(=O)C3=CC=CC=C32)CC(=O)O |
Product Overview
2-[4-(4-Methylphenyl)-1-oxophthalazin-3-ium-2-yl]acetate (CAS 375351-84-1), with molecular formula C17H14N2O3 and molecular weight 294.10 g/mol. IUPAC: 2-[4-(4-methylphenyl)-1-oxophthalazin-2-yl]acetic acid.
Chemical Property Profile of 2-[4-(4-Methylphenyl)-1-oxophthalazin-3-ium-2-yl]acetate
Property Insights of 2-[4-(4-Methylphenyl)-1-oxophthalazin-3-ium-2-yl]acetate
The XLogP value of 2.45652 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[4-(4-Methylphenyl)-1-oxophthalazin-3-ium-2-yl]acetate. The TPSA of 72.19 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[4-(4-Methylphenyl)-1-oxophthalazin-3-ium-2-yl]acetate. Following Lipinski's Rule of Five, 2-[4-(4-Methylphenyl)-1-oxophthalazin-3-ium-2-yl]acetate has 1 hydrogen bond donor(s) and 3 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 2-[4-(4-Methylphenyl)-1-oxophthalazin-3-ium-2-yl]acetate?
The CAS number of 2-[4-(4-Methylphenyl)-1-oxophthalazin-3-ium-2-yl]acetate is 375351-84-1.
What is the molecular formula of 2-[4-(4-Methylphenyl)-1-oxophthalazin-3-ium-2-yl]acetate?
The molecular formula of 2-[4-(4-Methylphenyl)-1-oxophthalazin-3-ium-2-yl]acetate is C17H14N2O3.
What is the molecular weight of 2-[4-(4-Methylphenyl)-1-oxophthalazin-3-ium-2-yl]acetate?
The molecular weight of 2-[4-(4-Methylphenyl)-1-oxophthalazin-3-ium-2-yl]acetate is 294.10 g/mol.
Where can I buy 2-[4-(4-Methylphenyl)-1-oxophthalazin-3-ium-2-yl]acetate?
You can request a quote for 2-[4-(4-Methylphenyl)-1-oxophthalazin-3-ium-2-yl]acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[4-(4-Methylphenyl)-1-oxophthalazin-3-ium-2-yl]acetate?
Yes, KEHONG BIO provides custom synthesis services for 2-[4-(4-Methylphenyl)-1-oxophthalazin-3-ium-2-yl]acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.