3,6,6-trimethyl-1-phenyl-6,7-dihydro-1H-indazol-4(5H)-one
TL;DR: 3,6,6-trimethyl-1-phenyl-6,7-dihydro-1H-indazol-4(5H)-one (CAS 21269-61-4) is a chemical compound with molecular formula C16H18N2O and molecular weight 254.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,6,6-trimethyl-1-phenyl-5,7-dihydroindazol-4-one
Also Known As: 3,6,6-trimethyl-1-phenyl-6,7-dihydro-1H-indazol-4(5H)-one, BAS 05305701, 3,6,6-trimethyl-1-phenyl-5,7-dihydroindazol-4-one, J1.044.212E, 3,6,6-trimethyl-1-phenyl-1H-5,6,7-trihydroindazol-4-one
| Molecular Formula | C16H18N2O |
|---|---|
| Molecular Weight | 254.14 g/mol |
| LogP | 3.33582 |
| Topological Polar Surface Area | 34.89 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 254.1419 |
| Heavy Atoms | 19 |
| Complexity | 638.2686 |
Chemical Identifiers
| CAS Number | 21269-61-4 |
|---|---|
| SMILES | CC1=NN(C2=C1C(=O)CC(C2)(C)C)C3=CC=CC=C3 |
Product Overview
3,6,6-trimethyl-1-phenyl-6,7-dihydro-1H-indazol-4(5H)-one (CAS 21269-61-4), with molecular formula C16H18N2O and molecular weight 254.14 g/mol. IUPAC: 3,6,6-trimethyl-1-phenyl-5,7-dihydroindazol-4-one.
Chemical Property Profile of 3,6,6-trimethyl-1-phenyl-6,7-dihydro-1H-indazol-4(5H)-one
Property Insights of 3,6,6-trimethyl-1-phenyl-6,7-dihydro-1H-indazol-4(5H)-one
The XLogP value of 3.33582 indicates that 3,6,6-trimethyl-1-phenyl-6,7-dihydro-1H-indazol-4(5H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 34.89 Ų, 3,6,6-trimethyl-1-phenyl-6,7-dihydro-1H-indazol-4(5H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,6,6-trimethyl-1-phenyl-6,7-dihydro-1H-indazol-4(5H)-one 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 3,6,6-trimethyl-1-phenyl-6,7-dihydro-1H-indazol-4(5H)-one?
The CAS number of 3,6,6-trimethyl-1-phenyl-6,7-dihydro-1H-indazol-4(5H)-one is 21269-61-4.
What is the molecular formula of 3,6,6-trimethyl-1-phenyl-6,7-dihydro-1H-indazol-4(5H)-one?
The molecular formula of 3,6,6-trimethyl-1-phenyl-6,7-dihydro-1H-indazol-4(5H)-one is C16H18N2O.
What is the molecular weight of 3,6,6-trimethyl-1-phenyl-6,7-dihydro-1H-indazol-4(5H)-one?
The molecular weight of 3,6,6-trimethyl-1-phenyl-6,7-dihydro-1H-indazol-4(5H)-one is 254.14 g/mol.
Where can I buy 3,6,6-trimethyl-1-phenyl-6,7-dihydro-1H-indazol-4(5H)-one?
You can request a quote for 3,6,6-trimethyl-1-phenyl-6,7-dihydro-1H-indazol-4(5H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,6,6-trimethyl-1-phenyl-6,7-dihydro-1H-indazol-4(5H)-one?
Yes, KEHONG BIO provides custom synthesis services for 3,6,6-trimethyl-1-phenyl-6,7-dihydro-1H-indazol-4(5H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.