1H-Indazol-5-ol, 1-benzoyl-, benzoate (ester)
TL;DR: 1H-Indazol-5-ol, 1-benzoyl-, benzoate (ester) (CAS 40941-54-6) is a chemical compound with molecular formula C21H14N2O3 and molecular weight 342.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1-benzoylindazol-5-yl) benzoate
Also Known As: 1-benzoyl-1h-indazol-5-yl benzoate, Benzoyl-1 benzoyloxy-5 indazole, Benzoyl-1 benzoyloxy-5 indazole [French], (1-benzoylindazol-5-yl) benzoate, 1-Benzoyl-1H-indazol-5-ol benzoate (ester)
| Molecular Formula | C21H14N2O3 |
|---|---|
| Molecular Weight | 342.10 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 61.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 342.10043 |
| Heavy Atoms | 26 |
| Complexity | 511.0 |
Chemical Identifiers
| CAS Number | 40941-54-6 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)N2C3=C(C=C(C=C3)OC(=O)C4=CC=CC=C4)C=N2 |
| InChIKey | QVOLYJIKHKMZNB-UHFFFAOYSA-N |
Product Overview
1H-Indazol-5-ol, 1-benzoyl-, benzoate (ester) (CAS 40941-54-6), with molecular formula C21H14N2O3 and molecular weight 342.10 g/mol. IUPAC: (1-benzoylindazol-5-yl) benzoate.
Chemical Property Profile of 1H-Indazol-5-ol, 1-benzoyl-, benzoate (ester)
Property Insights of 1H-Indazol-5-ol, 1-benzoyl-, benzoate (ester)
The XLogP value of 4.5 indicates that 1H-Indazol-5-ol, 1-benzoyl-, benzoate (ester) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 1H-Indazol-5-ol, 1-benzoyl-, benzoate (ester). Following Lipinski's Rule of Five, 1H-Indazol-5-ol, 1-benzoyl-, benzoate (ester) has 0 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 1H-Indazol-5-ol, 1-benzoyl-, benzoate (ester)?
The CAS number of 1H-Indazol-5-ol, 1-benzoyl-, benzoate (ester) is 40941-54-6.
What is the molecular formula of 1H-Indazol-5-ol, 1-benzoyl-, benzoate (ester)?
The molecular formula of 1H-Indazol-5-ol, 1-benzoyl-, benzoate (ester) is C21H14N2O3.
What is the molecular weight of 1H-Indazol-5-ol, 1-benzoyl-, benzoate (ester)?
The molecular weight of 1H-Indazol-5-ol, 1-benzoyl-, benzoate (ester) is 342.10 g/mol.
Where can I buy 1H-Indazol-5-ol, 1-benzoyl-, benzoate (ester)?
You can request a quote for 1H-Indazol-5-ol, 1-benzoyl-, benzoate (ester) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-Indazol-5-ol, 1-benzoyl-, benzoate (ester)?
Yes, KEHONG BIO provides custom synthesis services for 1H-Indazol-5-ol, 1-benzoyl-, benzoate (ester) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.