3-(4-chlorophenyl)-1,5,6,7-tetrahydro-4H-indazol-4-one
TL;DR: 3-(4-chlorophenyl)-1,5,6,7-tetrahydro-4H-indazol-4-one (CAS 654635-14-0) is a chemical compound with molecular formula C13H11ClN2O and molecular weight 246.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-chlorophenyl)-1,5,6,7-tetrahydroindazol-4-one
Also Known As: 3-(4-chlorophenyl)-1,5,6,7-tetrahydro-4H-indazol-4-one, 3-(4-chlorophenyl)-1,5,6,7-tetrahydroindazol-4-one, 3-(4-chlorophenyl)-1H-5,6,7-trihydroindazol-4-one, 3-(4-chlorophenyl)-6,7-dihydro-1H-indazol-4(5H)-one, A3105/0131502
| Molecular Formula | C13H11ClN2O |
|---|---|
| Molecular Weight | 246.06 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 45.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 246.05598 |
| Heavy Atoms | 17 |
| Complexity | 302.0 |
Chemical Identifiers
| CAS Number | 654635-14-0 |
|---|---|
| SMILES | C1CC2=C(C(=O)C1)C(=NN2)C3=CC=C(C=C3)Cl |
| InChIKey | XIQOPLQYUOYTEB-UHFFFAOYSA-N |
Product Overview
3-(4-chlorophenyl)-1,5,6,7-tetrahydro-4H-indazol-4-one (CAS 654635-14-0), with molecular formula C13H11ClN2O and molecular weight 246.06 g/mol. IUPAC: 3-(4-chlorophenyl)-1,5,6,7-tetrahydroindazol-4-one.
Chemical Property Profile of 3-(4-chlorophenyl)-1,5,6,7-tetrahydro-4H-indazol-4-one
Property Insights of 3-(4-chlorophenyl)-1,5,6,7-tetrahydro-4H-indazol-4-one
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(4-chlorophenyl)-1,5,6,7-tetrahydro-4H-indazol-4-one. With a topological polar surface area (TPSA) of 45.8 Ų, 3-(4-chlorophenyl)-1,5,6,7-tetrahydro-4H-indazol-4-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(4-chlorophenyl)-1,5,6,7-tetrahydro-4H-indazol-4-one 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-(4-chlorophenyl)-1,5,6,7-tetrahydro-4H-indazol-4-one?
The CAS number of 3-(4-chlorophenyl)-1,5,6,7-tetrahydro-4H-indazol-4-one is 654635-14-0.
What is the molecular formula of 3-(4-chlorophenyl)-1,5,6,7-tetrahydro-4H-indazol-4-one?
The molecular formula of 3-(4-chlorophenyl)-1,5,6,7-tetrahydro-4H-indazol-4-one is C13H11ClN2O.
What is the molecular weight of 3-(4-chlorophenyl)-1,5,6,7-tetrahydro-4H-indazol-4-one?
The molecular weight of 3-(4-chlorophenyl)-1,5,6,7-tetrahydro-4H-indazol-4-one is 246.06 g/mol.
Where can I buy 3-(4-chlorophenyl)-1,5,6,7-tetrahydro-4H-indazol-4-one?
You can request a quote for 3-(4-chlorophenyl)-1,5,6,7-tetrahydro-4H-indazol-4-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(4-chlorophenyl)-1,5,6,7-tetrahydro-4H-indazol-4-one?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-chlorophenyl)-1,5,6,7-tetrahydro-4H-indazol-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.