![2-{3-[4-(Tert-butyl)benzyl]-4-oxo-3,4-dihydro-1-phthalazinyl}acetic acid structure](/static/products/866/866151-30-6.png)
2-{3-[4-(Tert-butyl)benzyl]-4-oxo-3,4-dihydro-1-phthalazinyl}acetic acid
TL;DR: 2-{3-[4-(Tert-butyl)benzyl]-4-oxo-3,4-dihydro-1-phthalazinyl}acetic acid (CAS 866151-30-6) is a chemical compound with molecular formula C21H22N2O3 and molecular weight 350.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[3-[(4-tert-butylphenyl)methyl]-4-oxophthalazin-1-yl]acetic acid
Also Known As: 2-{3-[4-(tert-butyl)benzyl]-4-oxo-3,4-dihydro-1-phthalazinyl}acetic acid, 2-[3-[(4-tert-butylphenyl)methyl]-4-oxophthalazin-1-yl]acetic acid, 2-{3-[(4-tert-butylphenyl)methyl]-4-oxo-3,4-dihydrophthalazin-1-yl}acetic acid, 2-[4-oxo-3-[(4-tert-butylphenyl)methyl]phthalazin-1-yl]acetic Acid, 2-{3-[(4-tert-butylphenyl)methyl]-4-oxo-3,4-dihydrophthalazin-1-yl}aceticacid
| Molecular Formula | C21H22N2O3 |
|---|---|
| Molecular Weight | 350.16 g/mol |
| LogP | 3.3694 |
| Topological Polar Surface Area | 72.19 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 350.16306 |
| Heavy Atoms | 26 |
| Complexity | 1012.091 |
Chemical Identifiers
| CAS Number | 866151-30-6 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3C(=N2)CC(=O)O |
Product Overview
2-{3-[4-(Tert-butyl)benzyl]-4-oxo-3,4-dihydro-1-phthalazinyl}acetic acid (CAS 866151-30-6), with molecular formula C21H22N2O3 and molecular weight 350.16 g/mol. IUPAC: 2-[3-[(4-tert-butylphenyl)methyl]-4-oxophthalazin-1-yl]acetic acid.
Chemical Property Profile of 2-{3-[4-(Tert-butyl)benzyl]-4-oxo-3,4-dihydro-1-phthalazinyl}acetic acid
Property Insights of 2-{3-[4-(Tert-butyl)benzyl]-4-oxo-3,4-dihydro-1-phthalazinyl}acetic acid
The XLogP value of 3.3694 indicates that 2-{3-[4-(Tert-butyl)benzyl]-4-oxo-3,4-dihydro-1-phthalazinyl}acetic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.19 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-{3-[4-(Tert-butyl)benzyl]-4-oxo-3,4-dihydro-1-phthalazinyl}acetic acid. Following Lipinski's Rule of Five, 2-{3-[4-(Tert-butyl)benzyl]-4-oxo-3,4-dihydro-1-phthalazinyl}acetic acid 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-{3-[4-(Tert-butyl)benzyl]-4-oxo-3,4-dihydro-1-phthalazinyl}acetic acid?
The CAS number of 2-{3-[4-(Tert-butyl)benzyl]-4-oxo-3,4-dihydro-1-phthalazinyl}acetic acid is 866151-30-6.
What is the molecular formula of 2-{3-[4-(Tert-butyl)benzyl]-4-oxo-3,4-dihydro-1-phthalazinyl}acetic acid?
The molecular formula of 2-{3-[4-(Tert-butyl)benzyl]-4-oxo-3,4-dihydro-1-phthalazinyl}acetic acid is C21H22N2O3.
What is the molecular weight of 2-{3-[4-(Tert-butyl)benzyl]-4-oxo-3,4-dihydro-1-phthalazinyl}acetic acid?
The molecular weight of 2-{3-[4-(Tert-butyl)benzyl]-4-oxo-3,4-dihydro-1-phthalazinyl}acetic acid is 350.16 g/mol.
Where can I buy 2-{3-[4-(Tert-butyl)benzyl]-4-oxo-3,4-dihydro-1-phthalazinyl}acetic acid?
You can request a quote for 2-{3-[4-(Tert-butyl)benzyl]-4-oxo-3,4-dihydro-1-phthalazinyl}acetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-{3-[4-(Tert-butyl)benzyl]-4-oxo-3,4-dihydro-1-phthalazinyl}acetic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-{3-[4-(Tert-butyl)benzyl]-4-oxo-3,4-dihydro-1-phthalazinyl}acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.