7-Chloro-3,6,6-trimethyl-1-phenyl-5,7-dihydroindazol-4-one
TL;DR: 7-Chloro-3,6,6-trimethyl-1-phenyl-5,7-dihydroindazol-4-one (CAS 6487-36-1) is a chemical compound with molecular formula C16H17ClN2O and molecular weight 288.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-chloro-3,6,6-trimethyl-1-phenyl-5,7-dihydroindazol-4-one
Also Known As: 7-chloro-3,6,6-trimethyl-1-phenyl-5,7-dihydroindazol-4-one, 7-chloro-3,6,6-trimethyl-1-phenyl-1H-5,6,7-trihydroindazol-4-one, 7-Chloro-3,6,6-trimethyl-1-phenyl-1,5,6,7-tetrahydro-4H-indazol-4-one
| Molecular Formula | C16H17ClN2O |
|---|---|
| Molecular Weight | 288.10 g/mol |
| LogP | 4.07322 |
| Topological Polar Surface Area | 34.89 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 288.10294 |
| Heavy Atoms | 20 |
| Complexity | 673.28534 |
Chemical Identifiers
| CAS Number | 6487-36-1 |
|---|---|
| SMILES | CC1=NN(C2=C1C(=O)CC(C2Cl)(C)C)C3=CC=CC=C3 |
Product Overview
7-Chloro-3,6,6-trimethyl-1-phenyl-5,7-dihydroindazol-4-one (CAS 6487-36-1), with molecular formula C16H17ClN2O and molecular weight 288.10 g/mol. IUPAC: 7-chloro-3,6,6-trimethyl-1-phenyl-5,7-dihydroindazol-4-one.
Chemical Property Profile of 7-Chloro-3,6,6-trimethyl-1-phenyl-5,7-dihydroindazol-4-one
Property Insights of 7-Chloro-3,6,6-trimethyl-1-phenyl-5,7-dihydroindazol-4-one
The XLogP value of 4.07322 indicates that 7-Chloro-3,6,6-trimethyl-1-phenyl-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, 7-Chloro-3,6,6-trimethyl-1-phenyl-5,7-dihydroindazol-4-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 7-Chloro-3,6,6-trimethyl-1-phenyl-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 7-Chloro-3,6,6-trimethyl-1-phenyl-5,7-dihydroindazol-4-one?
The CAS number of 7-Chloro-3,6,6-trimethyl-1-phenyl-5,7-dihydroindazol-4-one is 6487-36-1.
What is the molecular formula of 7-Chloro-3,6,6-trimethyl-1-phenyl-5,7-dihydroindazol-4-one?
The molecular formula of 7-Chloro-3,6,6-trimethyl-1-phenyl-5,7-dihydroindazol-4-one is C16H17ClN2O.
What is the molecular weight of 7-Chloro-3,6,6-trimethyl-1-phenyl-5,7-dihydroindazol-4-one?
The molecular weight of 7-Chloro-3,6,6-trimethyl-1-phenyl-5,7-dihydroindazol-4-one is 288.10 g/mol.
Where can I buy 7-Chloro-3,6,6-trimethyl-1-phenyl-5,7-dihydroindazol-4-one?
You can request a quote for 7-Chloro-3,6,6-trimethyl-1-phenyl-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 7-Chloro-3,6,6-trimethyl-1-phenyl-5,7-dihydroindazol-4-one?
Yes, KEHONG BIO provides custom synthesis services for 7-Chloro-3,6,6-trimethyl-1-phenyl-5,7-dihydroindazol-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.