methyl 6,6-dimethyl-4-oxo-3-undecyl-4,5,6,7-tetrahydro-1H-indazole-5-carboxylate
TL;DR: methyl 6,6-dimethyl-4-oxo-3-undecyl-4,5,6,7-tetrahydro-1H-indazole-5-carboxylate (CAS 383397-75-9) is a chemical compound with molecular formula C22H36N2O3 and molecular weight 376.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 6,6-dimethyl-4-oxo-3-undecyl-5,7-dihydro-1H-indazole-5-carboxylate
Also Known As: Methyl 6,6-dimethyl-4-oxo-3-undecyl-5,7-dihydro-1H-indazole-5-carboxylate, methyl 6,6-dimethyl-4-oxo-3-undecyl-4,5,6,7-tetrahydro-1H-indazole-5-carboxylate, methyl 6,6-dimethyl-4-oxo-3-undecyl-4,5,6,7-tetrahydro-2H-indazole-5-carboxylate
| Molecular Formula | C22H36N2O3 |
|---|---|
| Molecular Weight | 376.27 g/mol |
| LogP | 5.0372 |
| Topological Polar Surface Area | 72.05 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 11 |
| Exact Mass | 376.27258 |
| Heavy Atoms | 27 |
| Complexity | 633.50244 |
Chemical Identifiers
| CAS Number | 383397-75-9 |
|---|---|
| SMILES | CCCCCCCCCCCC1=NNC2=C1C(=O)C(C(C2)(C)C)C(=O)OC |
Product Overview
methyl 6,6-dimethyl-4-oxo-3-undecyl-4,5,6,7-tetrahydro-1H-indazole-5-carboxylate (CAS 383397-75-9), with molecular formula C22H36N2O3 and molecular weight 376.27 g/mol. IUPAC: methyl 6,6-dimethyl-4-oxo-3-undecyl-5,7-dihydro-1H-indazole-5-carboxylate.
Chemical Property Profile of methyl 6,6-dimethyl-4-oxo-3-undecyl-4,5,6,7-tetrahydro-1H-indazole-5-carboxylate
Property Insights of methyl 6,6-dimethyl-4-oxo-3-undecyl-4,5,6,7-tetrahydro-1H-indazole-5-carboxylate
The XLogP value of 5.0372 indicates that methyl 6,6-dimethyl-4-oxo-3-undecyl-4,5,6,7-tetrahydro-1H-indazole-5-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.05 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 6,6-dimethyl-4-oxo-3-undecyl-4,5,6,7-tetrahydro-1H-indazole-5-carboxylate. Following Lipinski's Rule of Five, methyl 6,6-dimethyl-4-oxo-3-undecyl-4,5,6,7-tetrahydro-1H-indazole-5-carboxylate has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of methyl 6,6-dimethyl-4-oxo-3-undecyl-4,5,6,7-tetrahydro-1H-indazole-5-carboxylate?
The CAS number of methyl 6,6-dimethyl-4-oxo-3-undecyl-4,5,6,7-tetrahydro-1H-indazole-5-carboxylate is 383397-75-9.
What is the molecular formula of methyl 6,6-dimethyl-4-oxo-3-undecyl-4,5,6,7-tetrahydro-1H-indazole-5-carboxylate?
The molecular formula of methyl 6,6-dimethyl-4-oxo-3-undecyl-4,5,6,7-tetrahydro-1H-indazole-5-carboxylate is C22H36N2O3.
What is the molecular weight of methyl 6,6-dimethyl-4-oxo-3-undecyl-4,5,6,7-tetrahydro-1H-indazole-5-carboxylate?
The molecular weight of methyl 6,6-dimethyl-4-oxo-3-undecyl-4,5,6,7-tetrahydro-1H-indazole-5-carboxylate is 376.27 g/mol.
Where can I buy methyl 6,6-dimethyl-4-oxo-3-undecyl-4,5,6,7-tetrahydro-1H-indazole-5-carboxylate?
You can request a quote for methyl 6,6-dimethyl-4-oxo-3-undecyl-4,5,6,7-tetrahydro-1H-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 methyl 6,6-dimethyl-4-oxo-3-undecyl-4,5,6,7-tetrahydro-1H-indazole-5-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 6,6-dimethyl-4-oxo-3-undecyl-4,5,6,7-tetrahydro-1H-indazole-5-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.