1-(2,4-difluorophenyl)-5-formyl-3-methyl-6,7-dihydro-1H-indazol-4-yl acetate
TL;DR: 1-(2,4-difluorophenyl)-5-formyl-3-methyl-6,7-dihydro-1H-indazol-4-yl acetate (CAS 499198-07-1) is a chemical compound with molecular formula C17H14F2N2O3 and molecular weight 332.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[1-(2,4-difluorophenyl)-5-formyl-3-methyl-6,7-dihydroindazol-4-yl] acetate
Also Known As: 1-(2,4-difluorophenyl)-5-formyl-3-methyl-6,7-dihydro-1H-indazol-4-yl acetate, AP-060/41205844, [1-(2,4-difluorophenyl)-5-formyl-3-methyl-6,7-dihydroindazol-4-yl] acetate, 4-acetoxy-1-(2,4-difluorophenyl)-5-formyl-3-methyl-6,7-dihydroindazole
| Molecular Formula | C17H14F2N2O3 |
|---|---|
| Molecular Weight | 332.10 g/mol |
| LogP | 2.87822 |
| Topological Polar Surface Area | 61.19 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 332.09726 |
| Heavy Atoms | 24 |
| Complexity | 884.2011 |
Chemical Identifiers
| CAS Number | 499198-07-1 |
|---|---|
| SMILES | CC1=NN(C2=C1C(=C(CC2)C=O)OC(=O)C)C3=C(C=C(C=C3)F)F |
Product Overview
1-(2,4-difluorophenyl)-5-formyl-3-methyl-6,7-dihydro-1H-indazol-4-yl acetate (CAS 499198-07-1), with molecular formula C17H14F2N2O3 and molecular weight 332.10 g/mol. IUPAC: [1-(2,4-difluorophenyl)-5-formyl-3-methyl-6,7-dihydroindazol-4-yl] acetate.
Chemical Property Profile of 1-(2,4-difluorophenyl)-5-formyl-3-methyl-6,7-dihydro-1H-indazol-4-yl acetate
Property Insights of 1-(2,4-difluorophenyl)-5-formyl-3-methyl-6,7-dihydro-1H-indazol-4-yl acetate
The XLogP value of 2.87822 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(2,4-difluorophenyl)-5-formyl-3-methyl-6,7-dihydro-1H-indazol-4-yl acetate. The TPSA of 61.19 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(2,4-difluorophenyl)-5-formyl-3-methyl-6,7-dihydro-1H-indazol-4-yl acetate. Following Lipinski's Rule of Five, 1-(2,4-difluorophenyl)-5-formyl-3-methyl-6,7-dihydro-1H-indazol-4-yl acetate has 0 hydrogen bond donor(s) and 4 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 1-(2,4-difluorophenyl)-5-formyl-3-methyl-6,7-dihydro-1H-indazol-4-yl acetate?
The CAS number of 1-(2,4-difluorophenyl)-5-formyl-3-methyl-6,7-dihydro-1H-indazol-4-yl acetate is 499198-07-1.
What is the molecular formula of 1-(2,4-difluorophenyl)-5-formyl-3-methyl-6,7-dihydro-1H-indazol-4-yl acetate?
The molecular formula of 1-(2,4-difluorophenyl)-5-formyl-3-methyl-6,7-dihydro-1H-indazol-4-yl acetate is C17H14F2N2O3.
What is the molecular weight of 1-(2,4-difluorophenyl)-5-formyl-3-methyl-6,7-dihydro-1H-indazol-4-yl acetate?
The molecular weight of 1-(2,4-difluorophenyl)-5-formyl-3-methyl-6,7-dihydro-1H-indazol-4-yl acetate is 332.10 g/mol.
Where can I buy 1-(2,4-difluorophenyl)-5-formyl-3-methyl-6,7-dihydro-1H-indazol-4-yl acetate?
You can request a quote for 1-(2,4-difluorophenyl)-5-formyl-3-methyl-6,7-dihydro-1H-indazol-4-yl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(2,4-difluorophenyl)-5-formyl-3-methyl-6,7-dihydro-1H-indazol-4-yl acetate?
Yes, KEHONG BIO provides custom synthesis services for 1-(2,4-difluorophenyl)-5-formyl-3-methyl-6,7-dihydro-1H-indazol-4-yl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.