3-HO-2-PH-6,7,8,9-4H-2H-Cyclooctapyrazole-4,5-dicarboxylic acid dimethyl ester
TL;DR: 3-HO-2-PH-6,7,8,9-4H-2H-Cyclooctapyrazole-4,5-dicarboxylic acid dimethyl ester (CAS 74821-63-9) is a chemical compound with molecular formula C19H20N2O5 and molecular weight 356.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl (4Z)-3-oxo-2-phenyl-6,7,8,9-tetrahydro-1H-cycloocta[c]pyrazole-4,5-dicarboxylate
Also Known As: 3-HO-2-PH-6,7,8,9-4H-2H-CYCLOOCTAPYRAZOLE-4,5-DICARBOXYLIC ACID DIMETHYL ESTER, 4,5-dimethyl 3-hydroxy-2-phenyl-2H,6H,7H,8H,9H-cycloocta[c]pyrazole-4,5-dicarboxylate, 4,5-Dimethyl 6,7,8,9-tetrahydro-3-hydroxy-2-phenyl-2H-cyclooctapyrazole-4,5-dicarboxylate, dimethyl (4Z)-3-oxo-2-phenyl-6,7,8,9-tetrahydro-1H-cycloocta[c]pyrazole-4,5-dicarboxylate, Dimethyl (4Z)-3-hydroxy-2-phenyl-6,7,8,9-tetrahydro-2H-cycloocta[c]pyrazole-4,5-dicarboxylate
| Molecular Formula | C19H20N2O5 |
|---|---|
| Molecular Weight | 356.14 g/mol |
| LogP | 1.9916 |
| Topological Polar Surface Area | 90.39 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 356.1372 |
| Heavy Atoms | 26 |
| Complexity | 921.1513 |
Chemical Identifiers
| CAS Number | 74821-63-9 |
|---|---|
| SMILES | COC(=O)/C/1=C(/C2=C(CCCC1)NN(C2=O)C3=CC=CC=C3)\C(=O)OC |
Product Overview
3-HO-2-PH-6,7,8,9-4H-2H-Cyclooctapyrazole-4,5-dicarboxylic acid dimethyl ester (CAS 74821-63-9), with molecular formula C19H20N2O5 and molecular weight 356.14 g/mol. IUPAC: dimethyl (4Z)-3-oxo-2-phenyl-6,7,8,9-tetrahydro-1H-cycloocta[c]pyrazole-4,5-dicarboxylate.
Chemical Property Profile of 3-HO-2-PH-6,7,8,9-4H-2H-Cyclooctapyrazole-4,5-dicarboxylic acid dimethyl ester
Property Insights of 3-HO-2-PH-6,7,8,9-4H-2H-Cyclooctapyrazole-4,5-dicarboxylic acid dimethyl ester
The XLogP value of 1.9916 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-HO-2-PH-6,7,8,9-4H-2H-Cyclooctapyrazole-4,5-dicarboxylic acid dimethyl ester. The TPSA of 90.39 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-HO-2-PH-6,7,8,9-4H-2H-Cyclooctapyrazole-4,5-dicarboxylic acid dimethyl ester. Following Lipinski's Rule of Five, 3-HO-2-PH-6,7,8,9-4H-2H-Cyclooctapyrazole-4,5-dicarboxylic acid dimethyl ester has 1 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 3-HO-2-PH-6,7,8,9-4H-2H-Cyclooctapyrazole-4,5-dicarboxylic acid dimethyl ester?
The CAS number of 3-HO-2-PH-6,7,8,9-4H-2H-Cyclooctapyrazole-4,5-dicarboxylic acid dimethyl ester is 74821-63-9.
What is the molecular formula of 3-HO-2-PH-6,7,8,9-4H-2H-Cyclooctapyrazole-4,5-dicarboxylic acid dimethyl ester?
The molecular formula of 3-HO-2-PH-6,7,8,9-4H-2H-Cyclooctapyrazole-4,5-dicarboxylic acid dimethyl ester is C19H20N2O5.
What is the molecular weight of 3-HO-2-PH-6,7,8,9-4H-2H-Cyclooctapyrazole-4,5-dicarboxylic acid dimethyl ester?
The molecular weight of 3-HO-2-PH-6,7,8,9-4H-2H-Cyclooctapyrazole-4,5-dicarboxylic acid dimethyl ester is 356.14 g/mol.
Where can I buy 3-HO-2-PH-6,7,8,9-4H-2H-Cyclooctapyrazole-4,5-dicarboxylic acid dimethyl ester?
You can request a quote for 3-HO-2-PH-6,7,8,9-4H-2H-Cyclooctapyrazole-4,5-dicarboxylic acid dimethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-HO-2-PH-6,7,8,9-4H-2H-Cyclooctapyrazole-4,5-dicarboxylic acid dimethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 3-HO-2-PH-6,7,8,9-4H-2H-Cyclooctapyrazole-4,5-dicarboxylic acid dimethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.