2-(3-Methyl-4-oxo-3,4-dihydrophthalazin-1-yl)acetic acid
TL;DR: 2-(3-Methyl-4-oxo-3,4-dihydrophthalazin-1-yl)acetic acid (CAS 28081-52-9) is a chemical compound with molecular formula C11H10N2O3 and molecular weight 218.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3-methyl-4-oxophthalazin-1-yl)acetic acid
Also Known As: Borazine, (3-methyl-4-oxo-3,4-dihydrophthalazin-1-yl)acetic acid, 2-(3-Methyl-4-oxo-3,4-dihydrophthalazin-1-yl)acetic acid, (3-Methyl-4-oxo-3,4-dihydro-phthalazin-1-yl)-acetic acid, 2-(3-methyl-4-oxophthalazin-1-yl)acetic acid
| Molecular Formula | C11H10N2O3 |
|---|---|
| Molecular Weight | 218.07 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 70.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 218.06914 |
| Heavy Atoms | 16 |
| Complexity | 351.0 |
Chemical Identifiers
| CAS Number | 28081-52-9 |
|---|---|
| SMILES | CN1C(=O)C2=CC=CC=C2C(=N1)CC(=O)O |
| InChIKey | FJIQQZXHNOTAEI-UHFFFAOYSA-N |
Product Overview
2-(3-Methyl-4-oxo-3,4-dihydrophthalazin-1-yl)acetic acid (CAS 28081-52-9), with molecular formula C11H10N2O3 and molecular weight 218.07 g/mol. IUPAC: 2-(3-methyl-4-oxophthalazin-1-yl)acetic acid.
Chemical Property Profile of 2-(3-Methyl-4-oxo-3,4-dihydrophthalazin-1-yl)acetic acid
Property Insights of 2-(3-Methyl-4-oxo-3,4-dihydrophthalazin-1-yl)acetic acid
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(3-Methyl-4-oxo-3,4-dihydrophthalazin-1-yl)acetic acid. The TPSA of 70.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(3-Methyl-4-oxo-3,4-dihydrophthalazin-1-yl)acetic acid. Following Lipinski's Rule of Five, 2-(3-Methyl-4-oxo-3,4-dihydrophthalazin-1-yl)acetic acid has 1 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 2-(3-Methyl-4-oxo-3,4-dihydrophthalazin-1-yl)acetic acid?
The CAS number of 2-(3-Methyl-4-oxo-3,4-dihydrophthalazin-1-yl)acetic acid is 28081-52-9.
What is the molecular formula of 2-(3-Methyl-4-oxo-3,4-dihydrophthalazin-1-yl)acetic acid?
The molecular formula of 2-(3-Methyl-4-oxo-3,4-dihydrophthalazin-1-yl)acetic acid is C11H10N2O3.
What is the molecular weight of 2-(3-Methyl-4-oxo-3,4-dihydrophthalazin-1-yl)acetic acid?
The molecular weight of 2-(3-Methyl-4-oxo-3,4-dihydrophthalazin-1-yl)acetic acid is 218.07 g/mol.
Where can I buy 2-(3-Methyl-4-oxo-3,4-dihydrophthalazin-1-yl)acetic acid?
You can request a quote for 2-(3-Methyl-4-oxo-3,4-dihydrophthalazin-1-yl)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-Methyl-4-oxo-3,4-dihydrophthalazin-1-yl)acetic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(3-Methyl-4-oxo-3,4-dihydrophthalazin-1-yl)acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.