Dimethyl 4-cyano-4-hydroxytetrahydropyridazine-1,2-dicarboxylate
TL;DR: Dimethyl 4-cyano-4-hydroxytetrahydropyridazine-1,2-dicarboxylate (CAS 300587-69-3) is a chemical compound with molecular formula C9H13N3O5 and molecular weight 243.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 4-cyano-4-hydroxydiazinane-1,2-dicarboxylate
Also Known As: dimethyl 4-cyano-4-hydroxytetrahydropyridazine-1,2-dicarboxylate, dimethyl 4-cyano-4-hydroxydiazinane-1,2-dicarboxylate, Dimethyl 4-cyano-4-hydroxy-diazinane-1,2-dicarboxylate
| Molecular Formula | C9H13N3O5 |
|---|---|
| Molecular Weight | 243.09 g/mol |
| LogP | -0.30342 |
| Topological Polar Surface Area | 103.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 0 |
| Exact Mass | 243.08553 |
| Heavy Atoms | 17 |
| Complexity | 366.13306 |
Chemical Identifiers
| CAS Number | 300587-69-3 |
|---|---|
| SMILES | COC(=O)N1CCC(CN1C(=O)OC)(C#N)O |
Product Overview
Dimethyl 4-cyano-4-hydroxytetrahydropyridazine-1,2-dicarboxylate (CAS 300587-69-3), with molecular formula C9H13N3O5 and molecular weight 243.09 g/mol. IUPAC: dimethyl 4-cyano-4-hydroxydiazinane-1,2-dicarboxylate.
Chemical Property Profile of Dimethyl 4-cyano-4-hydroxytetrahydropyridazine-1,2-dicarboxylate
Property Insights of Dimethyl 4-cyano-4-hydroxytetrahydropyridazine-1,2-dicarboxylate
The XLogP value of -0.30342 indicates that Dimethyl 4-cyano-4-hydroxytetrahydropyridazine-1,2-dicarboxylate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 103.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Dimethyl 4-cyano-4-hydroxytetrahydropyridazine-1,2-dicarboxylate. Following Lipinski's Rule of Five, Dimethyl 4-cyano-4-hydroxytetrahydropyridazine-1,2-dicarboxylate has 1 hydrogen bond donor(s) and 6 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 Dimethyl 4-cyano-4-hydroxytetrahydropyridazine-1,2-dicarboxylate?
The CAS number of Dimethyl 4-cyano-4-hydroxytetrahydropyridazine-1,2-dicarboxylate is 300587-69-3.
What is the molecular formula of Dimethyl 4-cyano-4-hydroxytetrahydropyridazine-1,2-dicarboxylate?
The molecular formula of Dimethyl 4-cyano-4-hydroxytetrahydropyridazine-1,2-dicarboxylate is C9H13N3O5.
What is the molecular weight of Dimethyl 4-cyano-4-hydroxytetrahydropyridazine-1,2-dicarboxylate?
The molecular weight of Dimethyl 4-cyano-4-hydroxytetrahydropyridazine-1,2-dicarboxylate is 243.09 g/mol.
Where can I buy Dimethyl 4-cyano-4-hydroxytetrahydropyridazine-1,2-dicarboxylate?
You can request a quote for Dimethyl 4-cyano-4-hydroxytetrahydropyridazine-1,2-dicarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dimethyl 4-cyano-4-hydroxytetrahydropyridazine-1,2-dicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Dimethyl 4-cyano-4-hydroxytetrahydropyridazine-1,2-dicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.