1-(4-Bromophenyl)-3,6,6-trimethyl-5,7-dihydroindazol-4-one
TL;DR: 1-(4-Bromophenyl)-3,6,6-trimethyl-5,7-dihydroindazol-4-one (CAS 431908-55-3) is a chemical compound with molecular formula C16H17BrN2O and molecular weight 332.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-bromophenyl)-3,6,6-trimethyl-5,7-dihydroindazol-4-one
Also Known As: 1-(4-bromophenyl)-3,6,6-trimethyl-5,7-dihydroindazol-4-one, 1-(4-bromophenyl)-3,6,6-trimethyl-1,5,6,7-tetrahydro-4H-indazol-4-one
| Molecular Formula | C16H17BrN2O |
|---|---|
| Molecular Weight | 332.05 g/mol |
| LogP | 4.09832 |
| Topological Polar Surface Area | 34.89 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 332.05243 |
| Heavy Atoms | 20 |
| Complexity | 683.2476 |
Chemical Identifiers
| CAS Number | 431908-55-3 |
|---|---|
| SMILES | CC1=NN(C2=C1C(=O)CC(C2)(C)C)C3=CC=C(C=C3)Br |
Product Overview
1-(4-Bromophenyl)-3,6,6-trimethyl-5,7-dihydroindazol-4-one (CAS 431908-55-3), with molecular formula C16H17BrN2O and molecular weight 332.05 g/mol. IUPAC: 1-(4-bromophenyl)-3,6,6-trimethyl-5,7-dihydroindazol-4-one.
Chemical Property Profile of 1-(4-Bromophenyl)-3,6,6-trimethyl-5,7-dihydroindazol-4-one
Property Insights of 1-(4-Bromophenyl)-3,6,6-trimethyl-5,7-dihydroindazol-4-one
The XLogP value of 4.09832 indicates that 1-(4-Bromophenyl)-3,6,6-trimethyl-5,7-dihydroindazol-4-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, 1-(4-Bromophenyl)-3,6,6-trimethyl-5,7-dihydroindazol-4-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(4-Bromophenyl)-3,6,6-trimethyl-5,7-dihydroindazol-4-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 1-(4-Bromophenyl)-3,6,6-trimethyl-5,7-dihydroindazol-4-one?
The CAS number of 1-(4-Bromophenyl)-3,6,6-trimethyl-5,7-dihydroindazol-4-one is 431908-55-3.
What is the molecular formula of 1-(4-Bromophenyl)-3,6,6-trimethyl-5,7-dihydroindazol-4-one?
The molecular formula of 1-(4-Bromophenyl)-3,6,6-trimethyl-5,7-dihydroindazol-4-one is C16H17BrN2O.
What is the molecular weight of 1-(4-Bromophenyl)-3,6,6-trimethyl-5,7-dihydroindazol-4-one?
The molecular weight of 1-(4-Bromophenyl)-3,6,6-trimethyl-5,7-dihydroindazol-4-one is 332.05 g/mol.
Where can I buy 1-(4-Bromophenyl)-3,6,6-trimethyl-5,7-dihydroindazol-4-one?
You can request a quote for 1-(4-Bromophenyl)-3,6,6-trimethyl-5,7-dihydroindazol-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-(4-Bromophenyl)-3,6,6-trimethyl-5,7-dihydroindazol-4-one?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-Bromophenyl)-3,6,6-trimethyl-5,7-dihydroindazol-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.