1H-Indazole, 5-nitro-1-(3,4,5-trimethoxybenzoyl)-
TL;DR: 1H-Indazole, 5-nitro-1-(3,4,5-trimethoxybenzoyl)- (CAS 28611-06-5) is a chemical compound with molecular formula C17H15N3O6 and molecular weight 357.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5-nitroindazol-1-yl)-(3,4,5-trimethoxyphenyl)methanone
Also Known As: 1H-Indazole, 5-nitro-1-(3,4,5-trimethoxybenzoyl)-, 5-Nitro-1-(3,4,5-trimethoxybenzoyl)-1H-indazole, (5-nitroindazol-1-yl)-(3,4,5-trimethoxyphenyl)methanone, (Trimethoxy-3',4',5' benzoyl)-1 nitro-5 indazole, (Trimethoxy-3',4',5' benzoyl)-1 nitro-5 indazole [French]
| Molecular Formula | C17H15N3O6 |
|---|---|
| Molecular Weight | 357.10 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 108.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 357.0961 |
| Heavy Atoms | 26 |
| Complexity | 513.0 |
Chemical Identifiers
| CAS Number | 28611-06-5 |
|---|---|
| SMILES | COC1=CC(=CC(=C1OC)OC)C(=O)N2C3=C(C=C(C=C3)[N+](=O)[O-])C=N2 |
| InChIKey | OKJNWAUJIAZUNF-UHFFFAOYSA-N |
Product Overview
1H-Indazole, 5-nitro-1-(3,4,5-trimethoxybenzoyl)- (CAS 28611-06-5), with molecular formula C17H15N3O6 and molecular weight 357.10 g/mol. IUPAC: (5-nitroindazol-1-yl)-(3,4,5-trimethoxyphenyl)methanone.
Chemical Property Profile of 1H-Indazole, 5-nitro-1-(3,4,5-trimethoxybenzoyl)-
Property Insights of 1H-Indazole, 5-nitro-1-(3,4,5-trimethoxybenzoyl)-
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-Indazole, 5-nitro-1-(3,4,5-trimethoxybenzoyl)-. The TPSA of 108.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1H-Indazole, 5-nitro-1-(3,4,5-trimethoxybenzoyl)-. Following Lipinski's Rule of Five, 1H-Indazole, 5-nitro-1-(3,4,5-trimethoxybenzoyl)- has 0 hydrogen bond donor(s) and 7 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 1H-Indazole, 5-nitro-1-(3,4,5-trimethoxybenzoyl)-?
The CAS number of 1H-Indazole, 5-nitro-1-(3,4,5-trimethoxybenzoyl)- is 28611-06-5.
What is the molecular formula of 1H-Indazole, 5-nitro-1-(3,4,5-trimethoxybenzoyl)-?
The molecular formula of 1H-Indazole, 5-nitro-1-(3,4,5-trimethoxybenzoyl)- is C17H15N3O6.
What is the molecular weight of 1H-Indazole, 5-nitro-1-(3,4,5-trimethoxybenzoyl)-?
The molecular weight of 1H-Indazole, 5-nitro-1-(3,4,5-trimethoxybenzoyl)- is 357.10 g/mol.
Where can I buy 1H-Indazole, 5-nitro-1-(3,4,5-trimethoxybenzoyl)-?
You can request a quote for 1H-Indazole, 5-nitro-1-(3,4,5-trimethoxybenzoyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-Indazole, 5-nitro-1-(3,4,5-trimethoxybenzoyl)-?
Yes, KEHONG BIO provides custom synthesis services for 1H-Indazole, 5-nitro-1-(3,4,5-trimethoxybenzoyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.