2-(4-Chloroanilino)pyrimido(4,5-d)pyridazine-5,8-diol
TL;DR: 2-(4-Chloroanilino)pyrimido(4,5-d)pyridazine-5,8-diol (CAS 6344-85-0) is a chemical compound with molecular formula C12H8ClN5O2 and molecular weight 289.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-chloroanilino)-6,7-dihydropyrimido[4,5-d]pyridazine-5,8-dione
Also Known As: 2-(4-Chloroanilino)pyrimido(4,5-d)pyridazine-5,8-diol, 2-(4-chloroanilino)-6,7-dihydropyrimido[4,5-d]pyridazine-5,8-dione, 2-(4-Chloroanilino)pyrimido[4,5-d]pyridazine-5,8-diol, 2-[(4-chlorophenyl)amino]-6,7-dihydropyrimido[4,5-d]pyridazine-5,8-dione
| Molecular Formula | C12H8ClN5O2 |
|---|---|
| Molecular Weight | 289.04 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 96.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 289.03665 |
| Heavy Atoms | 20 |
| Complexity | 399.0 |
Chemical Identifiers
| CAS Number | 6344-85-0 |
|---|---|
| SMILES | C1=CC(=CC=C1NC2=NC=C3C(=N2)C(=O)NNC3=O)Cl |
| InChIKey | SIDYLIOHTSOQDA-UHFFFAOYSA-N |
Product Overview
2-(4-Chloroanilino)pyrimido(4,5-d)pyridazine-5,8-diol (CAS 6344-85-0), with molecular formula C12H8ClN5O2 and molecular weight 289.04 g/mol. IUPAC: 2-(4-chloroanilino)-6,7-dihydropyrimido[4,5-d]pyridazine-5,8-dione.
Chemical Property Profile of 2-(4-Chloroanilino)pyrimido(4,5-d)pyridazine-5,8-diol
Property Insights of 2-(4-Chloroanilino)pyrimido(4,5-d)pyridazine-5,8-diol
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(4-Chloroanilino)pyrimido(4,5-d)pyridazine-5,8-diol. The TPSA of 96.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(4-Chloroanilino)pyrimido(4,5-d)pyridazine-5,8-diol. Following Lipinski's Rule of Five, 2-(4-Chloroanilino)pyrimido(4,5-d)pyridazine-5,8-diol has 3 hydrogen bond donor(s) and 5 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-(4-Chloroanilino)pyrimido(4,5-d)pyridazine-5,8-diol?
The CAS number of 2-(4-Chloroanilino)pyrimido(4,5-d)pyridazine-5,8-diol is 6344-85-0.
What is the molecular formula of 2-(4-Chloroanilino)pyrimido(4,5-d)pyridazine-5,8-diol?
The molecular formula of 2-(4-Chloroanilino)pyrimido(4,5-d)pyridazine-5,8-diol is C12H8ClN5O2.
What is the molecular weight of 2-(4-Chloroanilino)pyrimido(4,5-d)pyridazine-5,8-diol?
The molecular weight of 2-(4-Chloroanilino)pyrimido(4,5-d)pyridazine-5,8-diol is 289.04 g/mol.
Where can I buy 2-(4-Chloroanilino)pyrimido(4,5-d)pyridazine-5,8-diol?
You can request a quote for 2-(4-Chloroanilino)pyrimido(4,5-d)pyridazine-5,8-diol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4-Chloroanilino)pyrimido(4,5-d)pyridazine-5,8-diol?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-Chloroanilino)pyrimido(4,5-d)pyridazine-5,8-diol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.