1-(1H-benzimidazol-2-yl)-6,6-dimethyl-1,5,6,7-tetrahydro-4H-indazol-4-one
TL;DR: 1-(1H-benzimidazol-2-yl)-6,6-dimethyl-1,5,6,7-tetrahydro-4H-indazol-4-one (CAS 180141-39-3) is a chemical compound with molecular formula C16H16N4O and molecular weight 280.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(1H-benzimidazol-2-yl)-6,6-dimethyl-5,7-dihydroindazol-4-one
Also Known As: SDCCGMLS-0025982.P002, 1-(1H-benzimidazol-2-yl)-6,6-dimethyl-1,5,6,7-tetrahydro-4H-indazol-4-one, 1-(1H-benzimidazol-2-yl)-6,6-dimethyl-5,7-dihydroindazol-4-one, 1-benzimidazol-2-yl-6,6-dimethyl-1H-5,6,7-trihydroindazol-4-one, 1-(1H-1,3-benzimidazol-2-yl)-6,6-dimethyl-1,5,6,7-tetrahydro-4H-indazol-4-one
| Molecular Formula | C16H16N4O |
|---|---|
| Molecular Weight | 280.13 g/mol |
| LogP | 2.9037 |
| Topological Polar Surface Area | 63.57 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 280.13242 |
| Heavy Atoms | 21 |
| Complexity | 823.16943 |
Chemical Identifiers
| CAS Number | 180141-39-3 |
|---|---|
| SMILES | CC1(CC2=C(C=NN2C3=NC4=CC=CC=C4N3)C(=O)C1)C |
Product Overview
1-(1H-benzimidazol-2-yl)-6,6-dimethyl-1,5,6,7-tetrahydro-4H-indazol-4-one (CAS 180141-39-3), with molecular formula C16H16N4O and molecular weight 280.13 g/mol. IUPAC: 1-(1H-benzimidazol-2-yl)-6,6-dimethyl-5,7-dihydroindazol-4-one.
Chemical Property Profile of 1-(1H-benzimidazol-2-yl)-6,6-dimethyl-1,5,6,7-tetrahydro-4H-indazol-4-one
Property Insights of 1-(1H-benzimidazol-2-yl)-6,6-dimethyl-1,5,6,7-tetrahydro-4H-indazol-4-one
The XLogP value of 2.9037 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(1H-benzimidazol-2-yl)-6,6-dimethyl-1,5,6,7-tetrahydro-4H-indazol-4-one. The TPSA of 63.57 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(1H-benzimidazol-2-yl)-6,6-dimethyl-1,5,6,7-tetrahydro-4H-indazol-4-one. Following Lipinski's Rule of Five, 1-(1H-benzimidazol-2-yl)-6,6-dimethyl-1,5,6,7-tetrahydro-4H-indazol-4-one has 1 hydrogen bond donor(s) and 3 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-(1H-benzimidazol-2-yl)-6,6-dimethyl-1,5,6,7-tetrahydro-4H-indazol-4-one?
The CAS number of 1-(1H-benzimidazol-2-yl)-6,6-dimethyl-1,5,6,7-tetrahydro-4H-indazol-4-one is 180141-39-3.
What is the molecular formula of 1-(1H-benzimidazol-2-yl)-6,6-dimethyl-1,5,6,7-tetrahydro-4H-indazol-4-one?
The molecular formula of 1-(1H-benzimidazol-2-yl)-6,6-dimethyl-1,5,6,7-tetrahydro-4H-indazol-4-one is C16H16N4O.
What is the molecular weight of 1-(1H-benzimidazol-2-yl)-6,6-dimethyl-1,5,6,7-tetrahydro-4H-indazol-4-one?
The molecular weight of 1-(1H-benzimidazol-2-yl)-6,6-dimethyl-1,5,6,7-tetrahydro-4H-indazol-4-one is 280.13 g/mol.
Where can I buy 1-(1H-benzimidazol-2-yl)-6,6-dimethyl-1,5,6,7-tetrahydro-4H-indazol-4-one?
You can request a quote for 1-(1H-benzimidazol-2-yl)-6,6-dimethyl-1,5,6,7-tetrahydro-4H-indazol-4-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(1H-benzimidazol-2-yl)-6,6-dimethyl-1,5,6,7-tetrahydro-4H-indazol-4-one?
Yes, KEHONG BIO provides custom synthesis services for 1-(1H-benzimidazol-2-yl)-6,6-dimethyl-1,5,6,7-tetrahydro-4H-indazol-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.