Benzoic acid, o-(3-oxo-2-indazolinyl)-
TL;DR: Benzoic acid, o-(3-oxo-2-indazolinyl)- (CAS 18428-91-6) is a chemical compound with molecular formula C14H10N2O3 and molecular weight 254.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3-oxo-1H-indazol-2-yl)benzoic acid
Also Known As: Benzoic acid, o-(3-oxo-2-indazolinyl)-, 2-(3-oxo-1H-indazol-2-yl)benzoic acid, 2-(1,3-Dihydro-3-oxo-2H-indazol-2-yl)benzoic acid, Benzoic acid, 2-(1,3-dihydro-3-oxo-2H-indazol-2-yl)-, 2-(3-Oxo-1,3-dihydro-2H-indazol-2-yl)benzoic acid
| Molecular Formula | C14H10N2O3 |
|---|---|
| Molecular Weight | 254.07 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 69.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 254.06914 |
| Heavy Atoms | 19 |
| Complexity | 385.0 |
Chemical Identifiers
| CAS Number | 18428-91-6 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)N(N2)C3=CC=CC=C3C(=O)O |
| InChIKey | MTCWGPPKYRLVRM-UHFFFAOYSA-N |
Product Overview
Benzoic acid, o-(3-oxo-2-indazolinyl)- (CAS 18428-91-6), with molecular formula C14H10N2O3 and molecular weight 254.07 g/mol. IUPAC: 2-(3-oxo-1H-indazol-2-yl)benzoic acid.
Chemical Property Profile of Benzoic acid, o-(3-oxo-2-indazolinyl)-
Property Insights of Benzoic acid, o-(3-oxo-2-indazolinyl)-
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzoic acid, o-(3-oxo-2-indazolinyl)-. The TPSA of 69.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzoic acid, o-(3-oxo-2-indazolinyl)-. Following Lipinski's Rule of Five, Benzoic acid, o-(3-oxo-2-indazolinyl)- has 2 hydrogen bond donor(s) and 4 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 Benzoic acid, o-(3-oxo-2-indazolinyl)-?
The CAS number of Benzoic acid, o-(3-oxo-2-indazolinyl)- is 18428-91-6.
What is the molecular formula of Benzoic acid, o-(3-oxo-2-indazolinyl)-?
The molecular formula of Benzoic acid, o-(3-oxo-2-indazolinyl)- is C14H10N2O3.
What is the molecular weight of Benzoic acid, o-(3-oxo-2-indazolinyl)-?
The molecular weight of Benzoic acid, o-(3-oxo-2-indazolinyl)- is 254.07 g/mol.
Where can I buy Benzoic acid, o-(3-oxo-2-indazolinyl)-?
You can request a quote for Benzoic acid, o-(3-oxo-2-indazolinyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzoic acid, o-(3-oxo-2-indazolinyl)-?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, o-(3-oxo-2-indazolinyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.