![3-[2-(4-Methylphenyl)sulfanylethyl]-4-oxophthalazine-1-carboxylic acid structure](/static/products/796/796118-97-3.png)
3-[2-(4-Methylphenyl)sulfanylethyl]-4-oxophthalazine-1-carboxylic acid
TL;DR: 3-[2-(4-Methylphenyl)sulfanylethyl]-4-oxophthalazine-1-carboxylic acid (CAS 796118-97-3) is a chemical compound with molecular formula C18H16N2O3S and molecular weight 340.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[2-(4-methylphenyl)sulfanylethyl]-4-oxophthalazine-1-carboxylic acid
Also Known As: 3-[2-(4-methylphenyl)sulfanylethyl]-4-oxophthalazine-1-carboxylic acid, 3-[2-(4-methylphenyl)sulfanylethyl]-4-oxo-phthalazine-1-carboxylic Acid, 3-{2-[(4-methylphenyl)sulfanyl]ethyl}-4-oxo-3,4-dihydrophthalazine-1-carboxylic acid
| Molecular Formula | C18H16N2O3S |
|---|---|
| Molecular Weight | 340.09 g/mol |
| LogP | 3.19542 |
| Topological Polar Surface Area | 72.19 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 340.08817 |
| Heavy Atoms | 24 |
| Complexity | 948.63025 |
Chemical Identifiers
| CAS Number | 796118-97-3 |
|---|---|
| SMILES | CC1=CC=C(C=C1)SCCN2C(=O)C3=CC=CC=C3C(=N2)C(=O)O |
Product Overview
3-[2-(4-Methylphenyl)sulfanylethyl]-4-oxophthalazine-1-carboxylic acid (CAS 796118-97-3), with molecular formula C18H16N2O3S and molecular weight 340.09 g/mol. IUPAC: 3-[2-(4-methylphenyl)sulfanylethyl]-4-oxophthalazine-1-carboxylic acid.
Chemical Property Profile of 3-[2-(4-Methylphenyl)sulfanylethyl]-4-oxophthalazine-1-carboxylic acid
Property Insights of 3-[2-(4-Methylphenyl)sulfanylethyl]-4-oxophthalazine-1-carboxylic acid
The XLogP value of 3.19542 indicates that 3-[2-(4-Methylphenyl)sulfanylethyl]-4-oxophthalazine-1-carboxylic 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 3-[2-(4-Methylphenyl)sulfanylethyl]-4-oxophthalazine-1-carboxylic acid. Following Lipinski's Rule of Five, 3-[2-(4-Methylphenyl)sulfanylethyl]-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-[2-(4-Methylphenyl)sulfanylethyl]-4-oxophthalazine-1-carboxylic acid?
The CAS number of 3-[2-(4-Methylphenyl)sulfanylethyl]-4-oxophthalazine-1-carboxylic acid is 796118-97-3.
What is the molecular formula of 3-[2-(4-Methylphenyl)sulfanylethyl]-4-oxophthalazine-1-carboxylic acid?
The molecular formula of 3-[2-(4-Methylphenyl)sulfanylethyl]-4-oxophthalazine-1-carboxylic acid is C18H16N2O3S.
What is the molecular weight of 3-[2-(4-Methylphenyl)sulfanylethyl]-4-oxophthalazine-1-carboxylic acid?
The molecular weight of 3-[2-(4-Methylphenyl)sulfanylethyl]-4-oxophthalazine-1-carboxylic acid is 340.09 g/mol.
Where can I buy 3-[2-(4-Methylphenyl)sulfanylethyl]-4-oxophthalazine-1-carboxylic acid?
You can request a quote for 3-[2-(4-Methylphenyl)sulfanylethyl]-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-[2-(4-Methylphenyl)sulfanylethyl]-4-oxophthalazine-1-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-[2-(4-Methylphenyl)sulfanylethyl]-4-oxophthalazine-1-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.