5-(2-(1,3-benzodioxol-5-yl)-3-{4-nitro-3-methyl-5-isoxazolyl}propyl)-4-nitro-3-methylisoxazole
TL;DR: 5-(2-(1,3-benzodioxol-5-yl)-3-{4-nitro-3-methyl-5-isoxazolyl}propyl)-4-nitro-3-methylisoxazole (CAS 445458-56-0) is a chemical compound with molecular formula C18H16N4O8 and molecular weight 416.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[2-(1,3-benzodioxol-5-yl)-3-(3-methyl-4-nitro-1,2-oxazol-5-yl)propyl]-3-methyl-4-nitro-1,2-oxazole
Also Known As: 5-(2-(1,3-benzodioxol-5-yl)-3-{4-nitro-3-methyl-5-isoxazolyl}propyl)-4-nitro-3-methylisoxazole, AM-970/41069530, 5-[2-(1,3-benzodioxol-5-yl)-3-(3-methyl-4-nitro-1,2-oxazol-5-yl)propyl]-3-methyl-4-nitro-1,2-oxazole
| Molecular Formula | C18H16N4O8 |
|---|---|
| Molecular Weight | 416.10 g/mol |
| LogP | 3.39354 |
| Topological Polar Surface Area | 156.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 7 |
| Exact Mass | 416.0968 |
| Heavy Atoms | 30 |
| Complexity | 1075.1576 |
Chemical Identifiers
| CAS Number | 445458-56-0 |
|---|---|
| SMILES | CC1=NOC(=C1[N+](=O)[O-])CC(CC2=C(C(=NO2)C)[N+](=O)[O-])C3=CC4=C(C=C3)OCO4 |
Product Overview
5-(2-(1,3-benzodioxol-5-yl)-3-{4-nitro-3-methyl-5-isoxazolyl}propyl)-4-nitro-3-methylisoxazole (CAS 445458-56-0), with molecular formula C18H16N4O8 and molecular weight 416.10 g/mol. IUPAC: 5-[2-(1,3-benzodioxol-5-yl)-3-(3-methyl-4-nitro-1,2-oxazol-5-yl)propyl]-3-methyl-4-nitro-1,2-oxazole.
Chemical Property Profile of 5-(2-(1,3-benzodioxol-5-yl)-3-{4-nitro-3-methyl-5-isoxazolyl}propyl)-4-nitro-3-methylisoxazole
Property Insights of 5-(2-(1,3-benzodioxol-5-yl)-3-{4-nitro-3-methyl-5-isoxazolyl}propyl)-4-nitro-3-methylisoxazole
The XLogP value of 3.39354 indicates that 5-(2-(1,3-benzodioxol-5-yl)-3-{4-nitro-3-methyl-5-isoxazolyl}propyl)-4-nitro-3-methylisoxazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 156.8 Ų indicates high polarity, suggesting 5-(2-(1,3-benzodioxol-5-yl)-3-{4-nitro-3-methyl-5-isoxazolyl}propyl)-4-nitro-3-methylisoxazole may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 5-(2-(1,3-benzodioxol-5-yl)-3-{4-nitro-3-methyl-5-isoxazolyl}propyl)-4-nitro-3-methylisoxazole has 0 hydrogen bond donor(s) and 10 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 5-(2-(1,3-benzodioxol-5-yl)-3-{4-nitro-3-methyl-5-isoxazolyl}propyl)-4-nitro-3-methylisoxazole?
The CAS number of 5-(2-(1,3-benzodioxol-5-yl)-3-{4-nitro-3-methyl-5-isoxazolyl}propyl)-4-nitro-3-methylisoxazole is 445458-56-0.
What is the molecular formula of 5-(2-(1,3-benzodioxol-5-yl)-3-{4-nitro-3-methyl-5-isoxazolyl}propyl)-4-nitro-3-methylisoxazole?
The molecular formula of 5-(2-(1,3-benzodioxol-5-yl)-3-{4-nitro-3-methyl-5-isoxazolyl}propyl)-4-nitro-3-methylisoxazole is C18H16N4O8.
What is the molecular weight of 5-(2-(1,3-benzodioxol-5-yl)-3-{4-nitro-3-methyl-5-isoxazolyl}propyl)-4-nitro-3-methylisoxazole?
The molecular weight of 5-(2-(1,3-benzodioxol-5-yl)-3-{4-nitro-3-methyl-5-isoxazolyl}propyl)-4-nitro-3-methylisoxazole is 416.10 g/mol.
Where can I buy 5-(2-(1,3-benzodioxol-5-yl)-3-{4-nitro-3-methyl-5-isoxazolyl}propyl)-4-nitro-3-methylisoxazole?
You can request a quote for 5-(2-(1,3-benzodioxol-5-yl)-3-{4-nitro-3-methyl-5-isoxazolyl}propyl)-4-nitro-3-methylisoxazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(2-(1,3-benzodioxol-5-yl)-3-{4-nitro-3-methyl-5-isoxazolyl}propyl)-4-nitro-3-methylisoxazole?
Yes, KEHONG BIO provides custom synthesis services for 5-(2-(1,3-benzodioxol-5-yl)-3-{4-nitro-3-methyl-5-isoxazolyl}propyl)-4-nitro-3-methylisoxazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.