(4-nitrophenyl)methyl 1H-indazole-3-carboxylate
TL;DR: (4-nitrophenyl)methyl 1H-indazole-3-carboxylate (CAS 1050819-56-1) is a chemical compound with molecular formula C15H11N3O4 and molecular weight 297.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-nitrophenyl)methyl 1H-indazole-3-carboxylate
Also Known As: (4-nitrophenyl)methyl 1H-indazole-3-carboxylate, 1h-indazole-3-carboxylic acid, (4-nitrophenyl)methyl ester
| Molecular Formula | C15H11N3O4 |
|---|---|
| Molecular Weight | 297.07 g/mol |
| LogP | 2.8281 |
| Topological Polar Surface Area | 98.12 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 297.07495 |
| Heavy Atoms | 22 |
| Complexity | 839.37463 |
Chemical Identifiers
| CAS Number | 1050819-56-1 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=NN2)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-] |
Product Overview
(4-nitrophenyl)methyl 1H-indazole-3-carboxylate (CAS 1050819-56-1), with molecular formula C15H11N3O4 and molecular weight 297.07 g/mol. IUPAC: (4-nitrophenyl)methyl 1H-indazole-3-carboxylate.
Chemical Property Profile of (4-nitrophenyl)methyl 1H-indazole-3-carboxylate
Property Insights of (4-nitrophenyl)methyl 1H-indazole-3-carboxylate
The XLogP value of 2.8281 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (4-nitrophenyl)methyl 1H-indazole-3-carboxylate. The TPSA of 98.12 Ų falls within the moderate polarity range, balancing permeability and solubility for (4-nitrophenyl)methyl 1H-indazole-3-carboxylate. Following Lipinski's Rule of Five, (4-nitrophenyl)methyl 1H-indazole-3-carboxylate has 1 hydrogen bond donor(s) and 5 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-nitrophenyl)methyl 1H-indazole-3-carboxylate?
The CAS number of (4-nitrophenyl)methyl 1H-indazole-3-carboxylate is 1050819-56-1.
What is the molecular formula of (4-nitrophenyl)methyl 1H-indazole-3-carboxylate?
The molecular formula of (4-nitrophenyl)methyl 1H-indazole-3-carboxylate is C15H11N3O4.
What is the molecular weight of (4-nitrophenyl)methyl 1H-indazole-3-carboxylate?
The molecular weight of (4-nitrophenyl)methyl 1H-indazole-3-carboxylate is 297.07 g/mol.
Where can I buy (4-nitrophenyl)methyl 1H-indazole-3-carboxylate?
You can request a quote for (4-nitrophenyl)methyl 1H-indazole-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (4-nitrophenyl)methyl 1H-indazole-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for (4-nitrophenyl)methyl 1H-indazole-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.