4-(3-oxo-4,5,6,7-tetrahydro-1H-indazol-2-yl)benzoic Acid
TL;DR: 4-(3-oxo-4,5,6,7-tetrahydro-1H-indazol-2-yl)benzoic Acid (CAS 866018-45-3) is a chemical compound with molecular formula C14H14N2O3 and molecular weight 258.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(3-oxo-4,5,6,7-tetrahydro-1H-indazol-2-yl)benzoic acid
Also Known As: 4-(3-oxo-4,5,6,7-tetrahydro-1H-indazol-2-yl)benzoic Acid, 4-(3-Oxo-1,3,4,5,6,7-hexahydro-2H-indazol-2-yl)-benzenecarboxylic acid, 4-(3-Oxo-4,5,6,7-tetrahydro-1H-indazol-2(3H)-yl)benzoic acid, 4-(3-Oxo-1,3,4,5,6,7-hexahydro-2H-indazol-2-yl)benzoic acid, 4-(3-oxo-2,3,4,5,6,7-hexahydro-1H-indazol-2-yl)benzoic acid
| Molecular Formula | C14H14N2O3 |
|---|---|
| Molecular Weight | 258.10 g/mol |
| LogP | 1.7426 |
| Topological Polar Surface Area | 75.09 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 258.10043 |
| Heavy Atoms | 19 |
| Complexity | 679.7069 |
Chemical Identifiers
| CAS Number | 866018-45-3 |
|---|---|
| SMILES | C1CCC2=C(C1)C(=O)N(N2)C3=CC=C(C=C3)C(=O)O |
Product Overview
4-(3-oxo-4,5,6,7-tetrahydro-1H-indazol-2-yl)benzoic Acid (CAS 866018-45-3), with molecular formula C14H14N2O3 and molecular weight 258.10 g/mol. IUPAC: 4-(3-oxo-4,5,6,7-tetrahydro-1H-indazol-2-yl)benzoic acid.
Chemical Property Profile of 4-(3-oxo-4,5,6,7-tetrahydro-1H-indazol-2-yl)benzoic Acid
Property Insights of 4-(3-oxo-4,5,6,7-tetrahydro-1H-indazol-2-yl)benzoic Acid
The XLogP value of 1.7426 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(3-oxo-4,5,6,7-tetrahydro-1H-indazol-2-yl)benzoic Acid. The TPSA of 75.09 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(3-oxo-4,5,6,7-tetrahydro-1H-indazol-2-yl)benzoic Acid. Following Lipinski's Rule of Five, 4-(3-oxo-4,5,6,7-tetrahydro-1H-indazol-2-yl)benzoic Acid has 2 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 4-(3-oxo-4,5,6,7-tetrahydro-1H-indazol-2-yl)benzoic Acid?
The CAS number of 4-(3-oxo-4,5,6,7-tetrahydro-1H-indazol-2-yl)benzoic Acid is 866018-45-3.
What is the molecular formula of 4-(3-oxo-4,5,6,7-tetrahydro-1H-indazol-2-yl)benzoic Acid?
The molecular formula of 4-(3-oxo-4,5,6,7-tetrahydro-1H-indazol-2-yl)benzoic Acid is C14H14N2O3.
What is the molecular weight of 4-(3-oxo-4,5,6,7-tetrahydro-1H-indazol-2-yl)benzoic Acid?
The molecular weight of 4-(3-oxo-4,5,6,7-tetrahydro-1H-indazol-2-yl)benzoic Acid is 258.10 g/mol.
Where can I buy 4-(3-oxo-4,5,6,7-tetrahydro-1H-indazol-2-yl)benzoic Acid?
You can request a quote for 4-(3-oxo-4,5,6,7-tetrahydro-1H-indazol-2-yl)benzoic Acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(3-oxo-4,5,6,7-tetrahydro-1H-indazol-2-yl)benzoic Acid?
Yes, KEHONG BIO provides custom synthesis services for 4-(3-oxo-4,5,6,7-tetrahydro-1H-indazol-2-yl)benzoic Acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.