Indazole, 1-acetyl-3-chloro-5-nitro-
TL;DR: Indazole, 1-acetyl-3-chloro-5-nitro- (CAS 68159-07-9) is a chemical compound with molecular formula C9H6ClN3O3 and molecular weight 239.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3-chloro-5-nitroindazol-1-yl)ethanone
Also Known As: Indazole, 1-acetyl-3-chloro-5-nitro-, 1-(3-chloro-5-nitro-1H-indazol-1-yl)ethan-1-one, 1-Acetyl-3-chloro-5-nitroindazole, 1-(3-chloro-5-nitroindazol-1-yl)ethanone, 1-(3-chloro-5-nitro-1H-indazol-1-yl)ethanone
| Molecular Formula | C9H6ClN3O3 |
|---|---|
| Molecular Weight | 239.01 g/mol |
| LogP | 2.258 |
| Topological Polar Surface Area | 78.03 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 239.00977 |
| Heavy Atoms | 16 |
| Complexity | 605.3102 |
Chemical Identifiers
| CAS Number | 68159-07-9 |
|---|---|
| SMILES | CC(=O)N1C2=C(C=C(C=C2)[N+](=O)[O-])C(=N1)Cl |
Product Overview
Indazole, 1-acetyl-3-chloro-5-nitro- (CAS 68159-07-9), with molecular formula C9H6ClN3O3 and molecular weight 239.01 g/mol. IUPAC: 1-(3-chloro-5-nitroindazol-1-yl)ethanone.
Chemical Property Profile of Indazole, 1-acetyl-3-chloro-5-nitro-
Property Insights of Indazole, 1-acetyl-3-chloro-5-nitro-
The XLogP value of 2.258 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Indazole, 1-acetyl-3-chloro-5-nitro-. The TPSA of 78.03 Ų falls within the moderate polarity range, balancing permeability and solubility for Indazole, 1-acetyl-3-chloro-5-nitro-. Following Lipinski's Rule of Five, Indazole, 1-acetyl-3-chloro-5-nitro- 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 Indazole, 1-acetyl-3-chloro-5-nitro-?
The CAS number of Indazole, 1-acetyl-3-chloro-5-nitro- is 68159-07-9.
What is the molecular formula of Indazole, 1-acetyl-3-chloro-5-nitro-?
The molecular formula of Indazole, 1-acetyl-3-chloro-5-nitro- is C9H6ClN3O3.
What is the molecular weight of Indazole, 1-acetyl-3-chloro-5-nitro-?
The molecular weight of Indazole, 1-acetyl-3-chloro-5-nitro- is 239.01 g/mol.
Where can I buy Indazole, 1-acetyl-3-chloro-5-nitro-?
You can request a quote for Indazole, 1-acetyl-3-chloro-5-nitro- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Indazole, 1-acetyl-3-chloro-5-nitro-?
Yes, KEHONG BIO provides custom synthesis services for Indazole, 1-acetyl-3-chloro-5-nitro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.