Ethyl 1-hydroxy-4-(hydroxymethyl)-6-phthalazinecarboxylate
TL;DR: Ethyl 1-hydroxy-4-(hydroxymethyl)-6-phthalazinecarboxylate (CAS 76798-75-9) is a chemical compound with molecular formula C12H12N2O4 and molecular weight 248.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-(hydroxymethyl)-1-oxo-2H-phthalazine-6-carboxylate
Also Known As: 2-Piperidino-2-cineolylen, Ethyl 1-hydroxy-4-(hydroxymethyl)-6-phthalazinecarboxylate, ethyl 1-hydroxy-4-(hydroxymethyl)phthalazine-6-carboxylate, ethyl 4-(hydroxymethyl)-1-oxo-2H-phthalazine-6-carboxylate, 6-ethoxycarbonyl-4-hydroxymethyl-1(2H)-phthalazinone
| Molecular Formula | C12H12N2O4 |
|---|---|
| Molecular Weight | 248.08 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 88.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 248.07971 |
| Heavy Atoms | 18 |
| Complexity | 380.0 |
Chemical Identifiers
| CAS Number | 76798-75-9 |
|---|---|
| SMILES | CCOC(=O)C1=CC2=C(C=C1)C(=O)NN=C2CO |
| InChIKey | MXYNXYMDSSROKW-UHFFFAOYSA-N |
Product Overview
Ethyl 1-hydroxy-4-(hydroxymethyl)-6-phthalazinecarboxylate (CAS 76798-75-9), with molecular formula C12H12N2O4 and molecular weight 248.08 g/mol. IUPAC: ethyl 4-(hydroxymethyl)-1-oxo-2H-phthalazine-6-carboxylate.
Chemical Property Profile of Ethyl 1-hydroxy-4-(hydroxymethyl)-6-phthalazinecarboxylate
Property Insights of Ethyl 1-hydroxy-4-(hydroxymethyl)-6-phthalazinecarboxylate
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 1-hydroxy-4-(hydroxymethyl)-6-phthalazinecarboxylate. The TPSA of 88.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 1-hydroxy-4-(hydroxymethyl)-6-phthalazinecarboxylate. Following Lipinski's Rule of Five, Ethyl 1-hydroxy-4-(hydroxymethyl)-6-phthalazinecarboxylate has 2 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 Ethyl 1-hydroxy-4-(hydroxymethyl)-6-phthalazinecarboxylate?
The CAS number of Ethyl 1-hydroxy-4-(hydroxymethyl)-6-phthalazinecarboxylate is 76798-75-9.
What is the molecular formula of Ethyl 1-hydroxy-4-(hydroxymethyl)-6-phthalazinecarboxylate?
The molecular formula of Ethyl 1-hydroxy-4-(hydroxymethyl)-6-phthalazinecarboxylate is C12H12N2O4.
What is the molecular weight of Ethyl 1-hydroxy-4-(hydroxymethyl)-6-phthalazinecarboxylate?
The molecular weight of Ethyl 1-hydroxy-4-(hydroxymethyl)-6-phthalazinecarboxylate is 248.08 g/mol.
Where can I buy Ethyl 1-hydroxy-4-(hydroxymethyl)-6-phthalazinecarboxylate?
You can request a quote for Ethyl 1-hydroxy-4-(hydroxymethyl)-6-phthalazinecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 1-hydroxy-4-(hydroxymethyl)-6-phthalazinecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 1-hydroxy-4-(hydroxymethyl)-6-phthalazinecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.