ethyl 6-hydroxy-6-methyl-4-(4-nitrophenyl)-3-oxo-3,3a,4,5,6,7-hexahydro-2H-indazole-5-carboxylate
TL;DR: ethyl 6-hydroxy-6-methyl-4-(4-nitrophenyl)-3-oxo-3,3a,4,5,6,7-hexahydro-2H-indazole-5-carboxylate (CAS 459155-70-5) is a chemical compound with molecular formula C17H19N3O6 and molecular weight 361.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 6-hydroxy-6-methyl-4-(4-nitrophenyl)-3-oxo-3a,4,5,7-tetrahydro-2H-indazole-5-carboxylate
Also Known As: ethyl 6-hydroxy-6-methyl-4-(4-nitrophenyl)-3-oxo-3,3a,4,5,6,7-hexahydro-2H-indazole-5-carboxylate, Ethyl 6-hydroxy-6-methyl-4-(4-nitrophenyl)-3-oxo-3a,4,5,7-tetrahydro-2H-indazole-5-carboxylate, 6-Hydroxy-6-methyl-4-(4-nitro-phenyl)-3-oxo-3,3a,4,5,6,7-hexahydro-2H-indazole-5-carboxylic acid ethyl ester
| Molecular Formula | C17H19N3O6 |
|---|---|
| Molecular Weight | 361.13 g/mol |
| LogP | 1.1144 |
| Topological Polar Surface Area | 131.13 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 361.12738 |
| Heavy Atoms | 26 |
| Complexity | 786.1929 |
Chemical Identifiers
| CAS Number | 459155-70-5 |
|---|---|
| SMILES | CCOC(=O)C1C(C2C(=NNC2=O)CC1(C)O)C3=CC=C(C=C3)[N+](=O)[O-] |
Product Overview
ethyl 6-hydroxy-6-methyl-4-(4-nitrophenyl)-3-oxo-3,3a,4,5,6,7-hexahydro-2H-indazole-5-carboxylate (CAS 459155-70-5), with molecular formula C17H19N3O6 and molecular weight 361.13 g/mol. IUPAC: ethyl 6-hydroxy-6-methyl-4-(4-nitrophenyl)-3-oxo-3a,4,5,7-tetrahydro-2H-indazole-5-carboxylate.
Chemical Property Profile of ethyl 6-hydroxy-6-methyl-4-(4-nitrophenyl)-3-oxo-3,3a,4,5,6,7-hexahydro-2H-indazole-5-carboxylate
Property Insights of ethyl 6-hydroxy-6-methyl-4-(4-nitrophenyl)-3-oxo-3,3a,4,5,6,7-hexahydro-2H-indazole-5-carboxylate
The XLogP value of 1.1144 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 6-hydroxy-6-methyl-4-(4-nitrophenyl)-3-oxo-3,3a,4,5,6,7-hexahydro-2H-indazole-5-carboxylate. The TPSA of 131.13 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 6-hydroxy-6-methyl-4-(4-nitrophenyl)-3-oxo-3,3a,4,5,6,7-hexahydro-2H-indazole-5-carboxylate. Following Lipinski's Rule of Five, ethyl 6-hydroxy-6-methyl-4-(4-nitrophenyl)-3-oxo-3,3a,4,5,6,7-hexahydro-2H-indazole-5-carboxylate has 2 hydrogen bond donor(s) and 7 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 6-hydroxy-6-methyl-4-(4-nitrophenyl)-3-oxo-3,3a,4,5,6,7-hexahydro-2H-indazole-5-carboxylate?
The CAS number of ethyl 6-hydroxy-6-methyl-4-(4-nitrophenyl)-3-oxo-3,3a,4,5,6,7-hexahydro-2H-indazole-5-carboxylate is 459155-70-5.
What is the molecular formula of ethyl 6-hydroxy-6-methyl-4-(4-nitrophenyl)-3-oxo-3,3a,4,5,6,7-hexahydro-2H-indazole-5-carboxylate?
The molecular formula of ethyl 6-hydroxy-6-methyl-4-(4-nitrophenyl)-3-oxo-3,3a,4,5,6,7-hexahydro-2H-indazole-5-carboxylate is C17H19N3O6.
What is the molecular weight of ethyl 6-hydroxy-6-methyl-4-(4-nitrophenyl)-3-oxo-3,3a,4,5,6,7-hexahydro-2H-indazole-5-carboxylate?
The molecular weight of ethyl 6-hydroxy-6-methyl-4-(4-nitrophenyl)-3-oxo-3,3a,4,5,6,7-hexahydro-2H-indazole-5-carboxylate is 361.13 g/mol.
Where can I buy ethyl 6-hydroxy-6-methyl-4-(4-nitrophenyl)-3-oxo-3,3a,4,5,6,7-hexahydro-2H-indazole-5-carboxylate?
You can request a quote for ethyl 6-hydroxy-6-methyl-4-(4-nitrophenyl)-3-oxo-3,3a,4,5,6,7-hexahydro-2H-indazole-5-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 6-hydroxy-6-methyl-4-(4-nitrophenyl)-3-oxo-3,3a,4,5,6,7-hexahydro-2H-indazole-5-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 6-hydroxy-6-methyl-4-(4-nitrophenyl)-3-oxo-3,3a,4,5,6,7-hexahydro-2H-indazole-5-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.