1-benzyl-5-nitro-2H-indazol-3-one
TL;DR: 1-benzyl-5-nitro-2H-indazol-3-one (CAS 2215-59-0) is a chemical compound with molecular formula C14H11N3O3 and molecular weight 269.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-benzyl-5-nitro-2H-indazol-3-one
Also Known As: 1-benzyl-5-nitro-2H-indazol-3-one, 1-Benzyl-5-nitro-1H-indazol-3-ol, 1-benzyl-5-nitro-1,2-dihydro-3h-indazol-3-one, NCI60_026765, 1-benzyl-5-nitro-1,2-dihydro-indazol-3-one
| Molecular Formula | C14H11N3O3 |
|---|---|
| Molecular Weight | 269.08 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 78.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 269.08005 |
| Heavy Atoms | 20 |
| Complexity | 390.0 |
Chemical Identifiers
| CAS Number | 2215-59-0 |
|---|---|
| SMILES | C1=CC=C(C=C1)CN2C3=C(C=C(C=C3)[N+](=O)[O-])C(=O)N2 |
| InChIKey | MWUWHJNIEUTQSJ-UHFFFAOYSA-N |
Product Overview
1-benzyl-5-nitro-2H-indazol-3-one (CAS 2215-59-0), with molecular formula C14H11N3O3 and molecular weight 269.08 g/mol. IUPAC: 1-benzyl-5-nitro-2H-indazol-3-one.
Chemical Property Profile of 1-benzyl-5-nitro-2H-indazol-3-one
Property Insights of 1-benzyl-5-nitro-2H-indazol-3-one
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-benzyl-5-nitro-2H-indazol-3-one. The TPSA of 78.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-benzyl-5-nitro-2H-indazol-3-one. Following Lipinski's Rule of Five, 1-benzyl-5-nitro-2H-indazol-3-one has 1 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 1-benzyl-5-nitro-2H-indazol-3-one?
The CAS number of 1-benzyl-5-nitro-2H-indazol-3-one is 2215-59-0.
What is the molecular formula of 1-benzyl-5-nitro-2H-indazol-3-one?
The molecular formula of 1-benzyl-5-nitro-2H-indazol-3-one is C14H11N3O3.
What is the molecular weight of 1-benzyl-5-nitro-2H-indazol-3-one?
The molecular weight of 1-benzyl-5-nitro-2H-indazol-3-one is 269.08 g/mol.
Where can I buy 1-benzyl-5-nitro-2H-indazol-3-one?
You can request a quote for 1-benzyl-5-nitro-2H-indazol-3-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-benzyl-5-nitro-2H-indazol-3-one?
Yes, KEHONG BIO provides custom synthesis services for 1-benzyl-5-nitro-2H-indazol-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.