![1-[3-(propan-2-yl)-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl]ethanone structure](/static/products/313/313391-98-9.png)
1-[3-(propan-2-yl)-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl]ethanone
TL;DR: 1-[3-(propan-2-yl)-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl]ethanone (CAS 313391-98-9) is a chemical compound with molecular formula C12H20N2O and molecular weight 208.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3-propan-2-yl-3,3a,4,5,6,7-hexahydroindazol-2-yl)ethanone
Also Known As: BAS 00463291, BIM-0021383.P001, 2-acetyl-3-(methylethyl)-2H-3,4,5,6,7,3a-hexahydroindazole, 1-(3-isopropyl-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl)ethanone, 1-(3-Isopropyl-3,3a,4,5,6,7-hexahydro-indazol-2-yl)-ethanone
| Molecular Formula | C12H20N2O |
|---|---|
| Molecular Weight | 208.16 g/mol |
| LogP | 2.4193 |
| Topological Polar Surface Area | 32.67 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 208.15756 |
| Heavy Atoms | 15 |
| Complexity | 295.99725 |
Chemical Identifiers
| CAS Number | 313391-98-9 |
|---|---|
| SMILES | CC(C)C1C2CCCCC2=NN1C(=O)C |
Product Overview
1-[3-(propan-2-yl)-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl]ethanone (CAS 313391-98-9), with molecular formula C12H20N2O and molecular weight 208.16 g/mol. IUPAC: 1-(3-propan-2-yl-3,3a,4,5,6,7-hexahydroindazol-2-yl)ethanone.
Chemical Property Profile of 1-[3-(propan-2-yl)-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl]ethanone
Property Insights of 1-[3-(propan-2-yl)-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl]ethanone
The XLogP value of 2.4193 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-[3-(propan-2-yl)-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl]ethanone. With a topological polar surface area (TPSA) of 32.67 Ų, 1-[3-(propan-2-yl)-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl]ethanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-[3-(propan-2-yl)-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl]ethanone has 0 hydrogen bond donor(s) and 2 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-[3-(propan-2-yl)-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl]ethanone?
The CAS number of 1-[3-(propan-2-yl)-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl]ethanone is 313391-98-9.
What is the molecular formula of 1-[3-(propan-2-yl)-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl]ethanone?
The molecular formula of 1-[3-(propan-2-yl)-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl]ethanone is C12H20N2O.
What is the molecular weight of 1-[3-(propan-2-yl)-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl]ethanone?
The molecular weight of 1-[3-(propan-2-yl)-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl]ethanone is 208.16 g/mol.
Where can I buy 1-[3-(propan-2-yl)-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl]ethanone?
You can request a quote for 1-[3-(propan-2-yl)-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl]ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-[3-(propan-2-yl)-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl]ethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-[3-(propan-2-yl)-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl]ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.