3-Chloro-5-nitro-1H-indazole
TL;DR: 3-Chloro-5-nitro-1H-indazole (CAS 4812-45-7) is a chemical compound with molecular formula C7H4ClN3O2 and molecular weight 197.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-chloro-5-nitro-2H-indazole
Also Known As: 3-Chloro-5-nitro-1H-indazole, 3-Chloro-5-nitroindazole, Indazole, 3-chloro-5-nitro-, 3-chloro-5-nitro-2H-indazole, Chloro-3 nitro-5 indazole
| Molecular Formula | C7H4ClN3O2 |
|---|---|
| Molecular Weight | 197.00 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 74.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 196.9992 |
| Heavy Atoms | 13 |
| Complexity | 220.0 |
Chemical Identifiers
| CAS Number | 4812-45-7 |
|---|---|
| SMILES | C1=CC2=NNC(=C2C=C1[N+](=O)[O-])Cl |
| InChIKey | UOWPRWCAMGTPHI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Chloro-5-nitro-1H-indazole (CAS 4812-45-7), with molecular formula C7H4ClN3O2 and molecular weight 197.00 g/mol. IUPAC: 3-chloro-5-nitro-2H-indazole.
Chemical Property Profile of 3-Chloro-5-nitro-1H-indazole
Property Insights of 3-Chloro-5-nitro-1H-indazole
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Chloro-5-nitro-1H-indazole. The TPSA of 74.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Chloro-5-nitro-1H-indazole. Following Lipinski's Rule of Five, 3-Chloro-5-nitro-1H-indazole has 1 hydrogen bond donor(s) and 3 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 3-Chloro-5-nitro-1H-indazole?
The CAS number of 3-Chloro-5-nitro-1H-indazole is 4812-45-7.
What is the molecular formula of 3-Chloro-5-nitro-1H-indazole?
The molecular formula of 3-Chloro-5-nitro-1H-indazole is C7H4ClN3O2.
What is the molecular weight of 3-Chloro-5-nitro-1H-indazole?
The molecular weight of 3-Chloro-5-nitro-1H-indazole is 197.00 g/mol.
Where can I buy 3-Chloro-5-nitro-1H-indazole?
You can request a quote for 3-Chloro-5-nitro-1H-indazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Chloro-5-nitro-1H-indazole?
Yes, KEHONG BIO provides custom synthesis services for 3-Chloro-5-nitro-1H-indazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.