1-(1H-benzimidazol-2-yl)-3,6,6-trimethyl-1,5,6,7-tetrahydro-4H-indazol-4-one
TL;DR: 1-(1H-benzimidazol-2-yl)-3,6,6-trimethyl-1,5,6,7-tetrahydro-4H-indazol-4-one (CAS 180141-40-6) is a chemical compound with molecular formula C17H18N4O and molecular weight 294.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(1H-benzimidazol-2-yl)-3,6,6-trimethyl-5,7-dihydroindazol-4-one
Also Known As: 1-(1H-benzimidazol-2-yl)-3,6,6-trimethyl-1,5,6,7-tetrahydro-4H-indazol-4-one, 1-(1H-benzimidazol-2-yl)-3,6,6-trimethyl-5,7-dihydroindazol-4-one, 1-(1H-1,3-benzimidazol-2-yl)-3,6,6-trimethyl-1,5,6,7-tetrahydro-4H-indazol-4-one, 1-(1H-benzo[d]imidazol-2-yl)-3,6,6-trimethyl-6,7-dihydro-1H-indazol-4(5H)-one
| Molecular Formula | C17H18N4O |
|---|---|
| Molecular Weight | 294.15 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 294.14807 |
| Heavy Atoms | 22 |
| Complexity | 466.0 |
Chemical Identifiers
| CAS Number | 180141-40-6 |
|---|---|
| SMILES | CC1=NN(C2=C1C(=O)CC(C2)(C)C)C3=NC4=CC=CC=C4N3 |
| InChIKey | GBMOHKPUYFWOKZ-UHFFFAOYSA-N |
Product Overview
1-(1H-benzimidazol-2-yl)-3,6,6-trimethyl-1,5,6,7-tetrahydro-4H-indazol-4-one (CAS 180141-40-6), with molecular formula C17H18N4O and molecular weight 294.15 g/mol. IUPAC: 1-(1H-benzimidazol-2-yl)-3,6,6-trimethyl-5,7-dihydroindazol-4-one.
Chemical Property Profile of 1-(1H-benzimidazol-2-yl)-3,6,6-trimethyl-1,5,6,7-tetrahydro-4H-indazol-4-one
Property Insights of 1-(1H-benzimidazol-2-yl)-3,6,6-trimethyl-1,5,6,7-tetrahydro-4H-indazol-4-one
The XLogP value of 3.2 indicates that 1-(1H-benzimidazol-2-yl)-3,6,6-trimethyl-1,5,6,7-tetrahydro-4H-indazol-4-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(1H-benzimidazol-2-yl)-3,6,6-trimethyl-1,5,6,7-tetrahydro-4H-indazol-4-one. Following Lipinski's Rule of Five, 1-(1H-benzimidazol-2-yl)-3,6,6-trimethyl-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)-3,6,6-trimethyl-1,5,6,7-tetrahydro-4H-indazol-4-one?
The CAS number of 1-(1H-benzimidazol-2-yl)-3,6,6-trimethyl-1,5,6,7-tetrahydro-4H-indazol-4-one is 180141-40-6.
What is the molecular formula of 1-(1H-benzimidazol-2-yl)-3,6,6-trimethyl-1,5,6,7-tetrahydro-4H-indazol-4-one?
The molecular formula of 1-(1H-benzimidazol-2-yl)-3,6,6-trimethyl-1,5,6,7-tetrahydro-4H-indazol-4-one is C17H18N4O.
What is the molecular weight of 1-(1H-benzimidazol-2-yl)-3,6,6-trimethyl-1,5,6,7-tetrahydro-4H-indazol-4-one?
The molecular weight of 1-(1H-benzimidazol-2-yl)-3,6,6-trimethyl-1,5,6,7-tetrahydro-4H-indazol-4-one is 294.15 g/mol.
Where can I buy 1-(1H-benzimidazol-2-yl)-3,6,6-trimethyl-1,5,6,7-tetrahydro-4H-indazol-4-one?
You can request a quote for 1-(1H-benzimidazol-2-yl)-3,6,6-trimethyl-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)-3,6,6-trimethyl-1,5,6,7-tetrahydro-4H-indazol-4-one?
Yes, KEHONG BIO provides custom synthesis services for 1-(1H-benzimidazol-2-yl)-3,6,6-trimethyl-1,5,6,7-tetrahydro-4H-indazol-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.