1,4-Dioxo-1,2,3,4-tetrahydrophthalazine-6-carboxylic acid
TL;DR: 1,4-Dioxo-1,2,3,4-tetrahydrophthalazine-6-carboxylic acid (CAS 42972-13-4) is a chemical compound with molecular formula C9H6N2O4 and molecular weight 206.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,4-dioxo-2,3-dihydrophthalazine-6-carboxylic acid
Also Known As: 1,4-dioxo-1,2,3,4-tetrahydrophthalazine-6-carboxylic acid, 1,4-dioxo-2,3-dihydrophthalazine-6-carboxylic acid, 4-(Trifluoromethoxy)phenylmethylsulfone, 1,4-dihydroxy-phthalazine-6-carboxylic acid, J2.027.150G
| Molecular Formula | C9H6N2O4 |
|---|---|
| Molecular Weight | 206.03 g/mol |
| LogP | 0.0 |
| Topological Polar Surface Area | 95.5 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 206.03276 |
| Heavy Atoms | 15 |
| Complexity | 328.0 |
Chemical Identifiers
| CAS Number | 42972-13-4 |
|---|---|
| SMILES | C1=CC2=C(C=C1C(=O)O)C(=O)NNC2=O |
| InChIKey | FXXJJBDOKNNGQF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,4-Dioxo-1,2,3,4-tetrahydrophthalazine-6-carboxylic acid (CAS 42972-13-4), with molecular formula C9H6N2O4 and molecular weight 206.03 g/mol. IUPAC: 1,4-dioxo-2,3-dihydrophthalazine-6-carboxylic acid.
Chemical Property Profile of 1,4-Dioxo-1,2,3,4-tetrahydrophthalazine-6-carboxylic acid
Property Insights of 1,4-Dioxo-1,2,3,4-tetrahydrophthalazine-6-carboxylic acid
The XLogP value of 0.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,4-Dioxo-1,2,3,4-tetrahydrophthalazine-6-carboxylic acid. The TPSA of 95.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,4-Dioxo-1,2,3,4-tetrahydrophthalazine-6-carboxylic acid. Following Lipinski's Rule of Five, 1,4-Dioxo-1,2,3,4-tetrahydrophthalazine-6-carboxylic acid has 3 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 1,4-Dioxo-1,2,3,4-tetrahydrophthalazine-6-carboxylic acid?
The CAS number of 1,4-Dioxo-1,2,3,4-tetrahydrophthalazine-6-carboxylic acid is 42972-13-4.
What is the molecular formula of 1,4-Dioxo-1,2,3,4-tetrahydrophthalazine-6-carboxylic acid?
The molecular formula of 1,4-Dioxo-1,2,3,4-tetrahydrophthalazine-6-carboxylic acid is C9H6N2O4.
What is the molecular weight of 1,4-Dioxo-1,2,3,4-tetrahydrophthalazine-6-carboxylic acid?
The molecular weight of 1,4-Dioxo-1,2,3,4-tetrahydrophthalazine-6-carboxylic acid is 206.03 g/mol.
Where can I buy 1,4-Dioxo-1,2,3,4-tetrahydrophthalazine-6-carboxylic acid?
You can request a quote for 1,4-Dioxo-1,2,3,4-tetrahydrophthalazine-6-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,4-Dioxo-1,2,3,4-tetrahydrophthalazine-6-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 1,4-Dioxo-1,2,3,4-tetrahydrophthalazine-6-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.