3-Benzyl-4-oxo-3,4-dihydrophthalazine-1-carboxylic acid
TL;DR: 3-Benzyl-4-oxo-3,4-dihydrophthalazine-1-carboxylic acid (CAS 16015-49-9) is a chemical compound with molecular formula C16H12N2O3 and molecular weight 280.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-benzyl-4-oxophthalazine-1-carboxylic acid
Also Known As: 3-benzyl-4-oxo-3,4-dihydrophthalazine-1-carboxylic acid, 3-benzyl-4-oxophthalazine-1-carboxylic acid, 3-Benzyl-4-oxo-3,4-dihydro-phthalazine-1-carboxylic acid, 3-Benzyl-4-phthalazon-1-carbonsaeure, 3-benzyl-4-oxo-phthalazine-1-carboxylic Acid
| Molecular Formula | C16H12N2O3 |
|---|---|
| Molecular Weight | 280.08 g/mol |
| LogP | 2.143 |
| Topological Polar Surface Area | 72.19 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 280.08478 |
| Heavy Atoms | 21 |
| Complexity | 869.5745 |
Chemical Identifiers
| CAS Number | 16015-49-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3C(=N2)C(=O)O |
Product Overview
3-Benzyl-4-oxo-3,4-dihydrophthalazine-1-carboxylic acid (CAS 16015-49-9), with molecular formula C16H12N2O3 and molecular weight 280.08 g/mol. IUPAC: 3-benzyl-4-oxophthalazine-1-carboxylic acid.
Chemical Property Profile of 3-Benzyl-4-oxo-3,4-dihydrophthalazine-1-carboxylic acid
Property Insights of 3-Benzyl-4-oxo-3,4-dihydrophthalazine-1-carboxylic acid
The XLogP value of 2.143 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Benzyl-4-oxo-3,4-dihydrophthalazine-1-carboxylic acid. The TPSA of 72.19 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Benzyl-4-oxo-3,4-dihydrophthalazine-1-carboxylic acid. Following Lipinski's Rule of Five, 3-Benzyl-4-oxo-3,4-dihydrophthalazine-1-carboxylic 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 3-Benzyl-4-oxo-3,4-dihydrophthalazine-1-carboxylic acid?
The CAS number of 3-Benzyl-4-oxo-3,4-dihydrophthalazine-1-carboxylic acid is 16015-49-9.
What is the molecular formula of 3-Benzyl-4-oxo-3,4-dihydrophthalazine-1-carboxylic acid?
The molecular formula of 3-Benzyl-4-oxo-3,4-dihydrophthalazine-1-carboxylic acid is C16H12N2O3.
What is the molecular weight of 3-Benzyl-4-oxo-3,4-dihydrophthalazine-1-carboxylic acid?
The molecular weight of 3-Benzyl-4-oxo-3,4-dihydrophthalazine-1-carboxylic acid is 280.08 g/mol.
Where can I buy 3-Benzyl-4-oxo-3,4-dihydrophthalazine-1-carboxylic acid?
You can request a quote for 3-Benzyl-4-oxo-3,4-dihydrophthalazine-1-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Benzyl-4-oxo-3,4-dihydrophthalazine-1-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-Benzyl-4-oxo-3,4-dihydrophthalazine-1-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.