![3-[(3-Fluoro-4-methoxyphenyl)methyl]-4-oxophthalazine-1-carboxylic acid structure](/static/products/7568/756859-34-4.webp)
3-[(3-Fluoro-4-methoxyphenyl)methyl]-4-oxophthalazine-1-carboxylic acid
TL;DR: 3-[(3-Fluoro-4-methoxyphenyl)methyl]-4-oxophthalazine-1-carboxylic acid (CAS 756859-34-4) is a chemical compound with molecular formula C17H13FN2O4 and molecular weight 328.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(3-fluoro-4-methoxyphenyl)methyl]-4-oxophthalazine-1-carboxylic acid
Also Known As: 3-[(3-fluoro-4-methoxyphenyl)methyl]-4-oxophthalazine-1-carboxylic acid, 3-[(3-fluoro-4-methoxy-phenyl)methyl]-4-oxo-phthalazine-1-carboxylic Acid, 3-[(3-fluoro-4-methoxyphenyl)methyl]-4-oxo-3,4-dihydrophthalazine-1-carboxylic acid
| Molecular Formula | C17H13FN2O4 |
|---|---|
| Molecular Weight | 328.09 g/mol |
| LogP | 2.2907 |
| Topological Polar Surface Area | 81.42 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 328.08594 |
| Heavy Atoms | 24 |
| Complexity | 997.53735 |
Chemical Identifiers
| CAS Number | 756859-34-4 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)CN2C(=O)C3=CC=CC=C3C(=N2)C(=O)O)F |
Product Overview
3-[(3-Fluoro-4-methoxyphenyl)methyl]-4-oxophthalazine-1-carboxylic acid (CAS 756859-34-4), with molecular formula C17H13FN2O4 and molecular weight 328.09 g/mol. IUPAC: 3-[(3-fluoro-4-methoxyphenyl)methyl]-4-oxophthalazine-1-carboxylic acid.
Chemical Property Profile of 3-[(3-Fluoro-4-methoxyphenyl)methyl]-4-oxophthalazine-1-carboxylic acid
Property Insights of 3-[(3-Fluoro-4-methoxyphenyl)methyl]-4-oxophthalazine-1-carboxylic acid
The XLogP value of 2.2907 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[(3-Fluoro-4-methoxyphenyl)methyl]-4-oxophthalazine-1-carboxylic acid. The TPSA of 81.42 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[(3-Fluoro-4-methoxyphenyl)methyl]-4-oxophthalazine-1-carboxylic acid. Following Lipinski's Rule of Five, 3-[(3-Fluoro-4-methoxyphenyl)methyl]-4-oxophthalazine-1-carboxylic 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 3-[(3-Fluoro-4-methoxyphenyl)methyl]-4-oxophthalazine-1-carboxylic acid?
The CAS number of 3-[(3-Fluoro-4-methoxyphenyl)methyl]-4-oxophthalazine-1-carboxylic acid is 756859-34-4.
What is the molecular formula of 3-[(3-Fluoro-4-methoxyphenyl)methyl]-4-oxophthalazine-1-carboxylic acid?
The molecular formula of 3-[(3-Fluoro-4-methoxyphenyl)methyl]-4-oxophthalazine-1-carboxylic acid is C17H13FN2O4.
What is the molecular weight of 3-[(3-Fluoro-4-methoxyphenyl)methyl]-4-oxophthalazine-1-carboxylic acid?
The molecular weight of 3-[(3-Fluoro-4-methoxyphenyl)methyl]-4-oxophthalazine-1-carboxylic acid is 328.09 g/mol.
Where can I buy 3-[(3-Fluoro-4-methoxyphenyl)methyl]-4-oxophthalazine-1-carboxylic acid?
You can request a quote for 3-[(3-Fluoro-4-methoxyphenyl)methyl]-4-oxophthalazine-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-[(3-Fluoro-4-methoxyphenyl)methyl]-4-oxophthalazine-1-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-[(3-Fluoro-4-methoxyphenyl)methyl]-4-oxophthalazine-1-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.