3-Benzoylindazol
TL;DR: 3-Benzoylindazol (CAS 59591-73-0) is a chemical compound with molecular formula C14H10N2O and molecular weight 222.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1H-indazol-3-yl(phenyl)methanone
Also Known As: 3-Benzoylindazol, 3-Benzoyl-1H-indazole, 3-benzoyl-2h-indazole, Indazol-3-yl-phenyl-keton, 1H-indazol-3-yl(phenyl)methanone
| Molecular Formula | C14H10N2O |
|---|---|
| Molecular Weight | 222.08 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 45.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 222.07932 |
| Heavy Atoms | 17 |
| Complexity | 286.0 |
Chemical Identifiers
| CAS Number | 59591-73-0 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)C2=NNC3=CC=CC=C32 |
| InChIKey | TYXYQGQGUVYKLU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Benzoylindazol (CAS 59591-73-0), with molecular formula C14H10N2O and molecular weight 222.08 g/mol. IUPAC: 1H-indazol-3-yl(phenyl)methanone.
Chemical Property Profile of 3-Benzoylindazol
Property Insights of 3-Benzoylindazol
The XLogP value of 3.2 indicates that 3-Benzoylindazol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.8 Ų, 3-Benzoylindazol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Benzoylindazol has 1 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-Benzoylindazol?
The CAS number of 3-Benzoylindazol is 59591-73-0.
What is the molecular formula of 3-Benzoylindazol?
The molecular formula of 3-Benzoylindazol is C14H10N2O.
What is the molecular weight of 3-Benzoylindazol?
The molecular weight of 3-Benzoylindazol is 222.08 g/mol.
Where can I buy 3-Benzoylindazol?
You can request a quote for 3-Benzoylindazol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Benzoylindazol?
Yes, KEHONG BIO provides custom synthesis services for 3-Benzoylindazol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.