1-(4-chlorobutanoyl)-5-nitro-1H-indazole
TL;DR: 1-(4-chlorobutanoyl)-5-nitro-1H-indazole (CAS 127245-99-2) is a chemical compound with molecular formula C11H10ClN3O3 and molecular weight 267.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chloro-1-(5-nitroindazol-1-yl)butan-1-one
Also Known As: 1-(4-chlorobutanoyl)-5-nitro-1H-indazole, 4-chloro-1-(5-nitroindazol-1-yl)butan-1-one, 4-chloro-1-(5-nitro-1H-indazol-1-yl)butan-1-one
| Molecular Formula | C11H10ClN3O3 |
|---|---|
| Molecular Weight | 267.04 g/mol |
| LogP | 2.6037 |
| Topological Polar Surface Area | 78.03 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 267.04108 |
| Heavy Atoms | 18 |
| Complexity | 608.5993 |
Chemical Identifiers
| CAS Number | 127245-99-2 |
|---|---|
| SMILES | C1=CC2=C(C=C1[N+](=O)[O-])C=NN2C(=O)CCCCl |
Product Overview
1-(4-chlorobutanoyl)-5-nitro-1H-indazole (CAS 127245-99-2), with molecular formula C11H10ClN3O3 and molecular weight 267.04 g/mol. IUPAC: 4-chloro-1-(5-nitroindazol-1-yl)butan-1-one.
Chemical Property Profile of 1-(4-chlorobutanoyl)-5-nitro-1H-indazole
Property Insights of 1-(4-chlorobutanoyl)-5-nitro-1H-indazole
The XLogP value of 2.6037 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(4-chlorobutanoyl)-5-nitro-1H-indazole. The TPSA of 78.03 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(4-chlorobutanoyl)-5-nitro-1H-indazole. Following Lipinski's Rule of Five, 1-(4-chlorobutanoyl)-5-nitro-1H-indazole 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 1-(4-chlorobutanoyl)-5-nitro-1H-indazole?
The CAS number of 1-(4-chlorobutanoyl)-5-nitro-1H-indazole is 127245-99-2.
What is the molecular formula of 1-(4-chlorobutanoyl)-5-nitro-1H-indazole?
The molecular formula of 1-(4-chlorobutanoyl)-5-nitro-1H-indazole is C11H10ClN3O3.
What is the molecular weight of 1-(4-chlorobutanoyl)-5-nitro-1H-indazole?
The molecular weight of 1-(4-chlorobutanoyl)-5-nitro-1H-indazole is 267.04 g/mol.
Where can I buy 1-(4-chlorobutanoyl)-5-nitro-1H-indazole?
You can request a quote for 1-(4-chlorobutanoyl)-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 1-(4-chlorobutanoyl)-5-nitro-1H-indazole?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-chlorobutanoyl)-5-nitro-1H-indazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.