1H-Indazole-1-acetamide, N-(6-acetyl-1,3-benzodioxol-5-yl)-4,5,6,7-tetrahydro-3-(trifluoromethyl)- (9CI)
TL;DR: 1H-Indazole-1-acetamide, N-(6-acetyl-1,3-benzodioxol-5-yl)-4,5,6,7-tetrahydro-3-(trifluoromethyl)- (9CI) (CAS 606096-72-4) is a chemical compound with molecular formula C19H18F3N3O4 and molecular weight 409.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide
Also Known As: 1H-Indazole-1-acetamide, N-(6-acetyl-1,3-benzodioxol-5-yl)-4,5,6,7-tetrahydro-3-(trifluoromethyl)- (9CI), N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide, N-(6-acetylbenzo[1,3]dioxol-5-yl)-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide
| Molecular Formula | C19H18F3N3O4 |
|---|---|
| Molecular Weight | 409.12 g/mol |
| LogP | 3.3507 |
| Topological Polar Surface Area | 82.45 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 409.12494 |
| Heavy Atoms | 29 |
| Complexity | 997.56116 |
Chemical Identifiers
| CAS Number | 606096-72-4 |
|---|---|
| SMILES | CC(=O)C1=CC2=C(C=C1NC(=O)CN3C4=C(CCCC4)C(=N3)C(F)(F)F)OCO2 |
Product Overview
1H-Indazole-1-acetamide, N-(6-acetyl-1,3-benzodioxol-5-yl)-4,5,6,7-tetrahydro-3-(trifluoromethyl)- (9CI) (CAS 606096-72-4), with molecular formula C19H18F3N3O4 and molecular weight 409.12 g/mol. IUPAC: N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide.
Chemical Property Profile of 1H-Indazole-1-acetamide, N-(6-acetyl-1,3-benzodioxol-5-yl)-4,5,6,7-tetrahydro-3-(trifluoromethyl)- (9CI)
Property Insights of 1H-Indazole-1-acetamide, N-(6-acetyl-1,3-benzodioxol-5-yl)-4,5,6,7-tetrahydro-3-(trifluoromethyl)- (9CI)
The XLogP value of 3.3507 indicates that 1H-Indazole-1-acetamide, N-(6-acetyl-1,3-benzodioxol-5-yl)-4,5,6,7-tetrahydro-3-(trifluoromethyl)- (9CI) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 82.45 Ų falls within the moderate polarity range, balancing permeability and solubility for 1H-Indazole-1-acetamide, N-(6-acetyl-1,3-benzodioxol-5-yl)-4,5,6,7-tetrahydro-3-(trifluoromethyl)- (9CI). Following Lipinski's Rule of Five, 1H-Indazole-1-acetamide, N-(6-acetyl-1,3-benzodioxol-5-yl)-4,5,6,7-tetrahydro-3-(trifluoromethyl)- (9CI) 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 1H-Indazole-1-acetamide, N-(6-acetyl-1,3-benzodioxol-5-yl)-4,5,6,7-tetrahydro-3-(trifluoromethyl)- (9CI)?
The CAS number of 1H-Indazole-1-acetamide, N-(6-acetyl-1,3-benzodioxol-5-yl)-4,5,6,7-tetrahydro-3-(trifluoromethyl)- (9CI) is 606096-72-4.
What is the molecular formula of 1H-Indazole-1-acetamide, N-(6-acetyl-1,3-benzodioxol-5-yl)-4,5,6,7-tetrahydro-3-(trifluoromethyl)- (9CI)?
The molecular formula of 1H-Indazole-1-acetamide, N-(6-acetyl-1,3-benzodioxol-5-yl)-4,5,6,7-tetrahydro-3-(trifluoromethyl)- (9CI) is C19H18F3N3O4.
What is the molecular weight of 1H-Indazole-1-acetamide, N-(6-acetyl-1,3-benzodioxol-5-yl)-4,5,6,7-tetrahydro-3-(trifluoromethyl)- (9CI)?
The molecular weight of 1H-Indazole-1-acetamide, N-(6-acetyl-1,3-benzodioxol-5-yl)-4,5,6,7-tetrahydro-3-(trifluoromethyl)- (9CI) is 409.12 g/mol.
Where can I buy 1H-Indazole-1-acetamide, N-(6-acetyl-1,3-benzodioxol-5-yl)-4,5,6,7-tetrahydro-3-(trifluoromethyl)- (9CI)?
You can request a quote for 1H-Indazole-1-acetamide, N-(6-acetyl-1,3-benzodioxol-5-yl)-4,5,6,7-tetrahydro-3-(trifluoromethyl)- (9CI) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-Indazole-1-acetamide, N-(6-acetyl-1,3-benzodioxol-5-yl)-4,5,6,7-tetrahydro-3-(trifluoromethyl)- (9CI)?
Yes, KEHONG BIO provides custom synthesis services for 1H-Indazole-1-acetamide, N-(6-acetyl-1,3-benzodioxol-5-yl)-4,5,6,7-tetrahydro-3-(trifluoromethyl)- (9CI) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.