![4-(5-methoxy-1H-indol-3-yl)-5-nitro-3,8-dioxido-4,5-dihydro-[1,2,5]oxadiazolo[3,4-e][2,1,3]benzoxadiazole-3,8-diium structure](/static/products/7230/7230-76-4.webp)
4-(5-methoxy-1H-indol-3-yl)-5-nitro-3,8-dioxido-4,5-dihydro-[1,2,5]oxadiazolo[3,4-e][2,1,3]benzoxadiazole-3,8-diium
TL;DR: 4-(5-methoxy-1H-indol-3-yl)-5-nitro-3,8-dioxido-4,5-dihydro-[1,2,5]oxadiazolo[3,4-e][2,1,3]benzoxadiazole-3,8-diium (CAS 7230-76-4) is a chemical compound with molecular formula C15H10N6O7 and molecular weight 386.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(5-methoxy-1H-indol-3-yl)-5-nitro-3,8-dioxido-4,5-dihydro-[1,2,5]oxadiazolo[3,4-e][2,1,3]benzoxadiazole-3,8-diium
Also Known As: 4-(5-methoxy-1H-indol-3-yl)-5-nitro-3,8-dioxido-4,5-dihydro-[1,2,5]oxadiazolo[3,4-e][2,1,3]benzoxadiazole-3,8-diium, 5-(5-Methoxy-1H-indol-3-yl)-4-nitro-1,6-dioxo-4,5-dihydro-1lambda~5~,6lambda~5~-benzo[1,2-c:3,4-c']bis[1,2,5]oxadiazole
| Molecular Formula | C15H10N6O7 |
|---|---|
| Molecular Weight | 386.06 g/mol |
| LogP | 0.5496 |
| Topological Polar Surface Area | 174.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 3 |
| Exact Mass | 386.0611 |
| Heavy Atoms | 28 |
| Complexity | 1241.199 |
Chemical Identifiers
| CAS Number | 7230-76-4 |
|---|---|
| SMILES | COC1=CC2=C(C=C1)NC=C2C3C(C4=NO[N+](=C4C5=NO[N+](=C35)[O-])[O-])[N+](=O)[O-] |
Product Overview
4-(5-methoxy-1H-indol-3-yl)-5-nitro-3,8-dioxido-4,5-dihydro-[1,2,5]oxadiazolo[3,4-e][2,1,3]benzoxadiazole-3,8-diium (CAS 7230-76-4), with molecular formula C15H10N6O7 and molecular weight 386.06 g/mol. IUPAC: 4-(5-methoxy-1H-indol-3-yl)-5-nitro-3,8-dioxido-4,5-dihydro-[1,2,5]oxadiazolo[3,4-e][2,1,3]benzoxadiazole-3,8-diium.
Chemical Property Profile of 4-(5-methoxy-1H-indol-3-yl)-5-nitro-3,8-dioxido-4,5-dihydro-[1,2,5]oxadiazolo[3,4-e][2,1,3]benzoxadiazole-3,8-diium
Property Insights of 4-(5-methoxy-1H-indol-3-yl)-5-nitro-3,8-dioxido-4,5-dihydro-[1,2,5]oxadiazolo[3,4-e][2,1,3]benzoxadiazole-3,8-diium
The XLogP value of 0.5496 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(5-methoxy-1H-indol-3-yl)-5-nitro-3,8-dioxido-4,5-dihydro-[1,2,5]oxadiazolo[3,4-e][2,1,3]benzoxadiazole-3,8-diium. The TPSA of 174.1 Ų indicates high polarity, suggesting 4-(5-methoxy-1H-indol-3-yl)-5-nitro-3,8-dioxido-4,5-dihydro-[1,2,5]oxadiazolo[3,4-e][2,1,3]benzoxadiazole-3,8-diium may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 4-(5-methoxy-1H-indol-3-yl)-5-nitro-3,8-dioxido-4,5-dihydro-[1,2,5]oxadiazolo[3,4-e][2,1,3]benzoxadiazole-3,8-diium has 1 hydrogen bond donor(s) and 9 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 4-(5-methoxy-1H-indol-3-yl)-5-nitro-3,8-dioxido-4,5-dihydro-[1,2,5]oxadiazolo[3,4-e][2,1,3]benzoxadiazole-3,8-diium?
The CAS number of 4-(5-methoxy-1H-indol-3-yl)-5-nitro-3,8-dioxido-4,5-dihydro-[1,2,5]oxadiazolo[3,4-e][2,1,3]benzoxadiazole-3,8-diium is 7230-76-4.
What is the molecular formula of 4-(5-methoxy-1H-indol-3-yl)-5-nitro-3,8-dioxido-4,5-dihydro-[1,2,5]oxadiazolo[3,4-e][2,1,3]benzoxadiazole-3,8-diium?
The molecular formula of 4-(5-methoxy-1H-indol-3-yl)-5-nitro-3,8-dioxido-4,5-dihydro-[1,2,5]oxadiazolo[3,4-e][2,1,3]benzoxadiazole-3,8-diium is C15H10N6O7.
What is the molecular weight of 4-(5-methoxy-1H-indol-3-yl)-5-nitro-3,8-dioxido-4,5-dihydro-[1,2,5]oxadiazolo[3,4-e][2,1,3]benzoxadiazole-3,8-diium?
The molecular weight of 4-(5-methoxy-1H-indol-3-yl)-5-nitro-3,8-dioxido-4,5-dihydro-[1,2,5]oxadiazolo[3,4-e][2,1,3]benzoxadiazole-3,8-diium is 386.06 g/mol.
Where can I buy 4-(5-methoxy-1H-indol-3-yl)-5-nitro-3,8-dioxido-4,5-dihydro-[1,2,5]oxadiazolo[3,4-e][2,1,3]benzoxadiazole-3,8-diium?
You can request a quote for 4-(5-methoxy-1H-indol-3-yl)-5-nitro-3,8-dioxido-4,5-dihydro-[1,2,5]oxadiazolo[3,4-e][2,1,3]benzoxadiazole-3,8-diium directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(5-methoxy-1H-indol-3-yl)-5-nitro-3,8-dioxido-4,5-dihydro-[1,2,5]oxadiazolo[3,4-e][2,1,3]benzoxadiazole-3,8-diium?
Yes, KEHONG BIO provides custom synthesis services for 4-(5-methoxy-1H-indol-3-yl)-5-nitro-3,8-dioxido-4,5-dihydro-[1,2,5]oxadiazolo[3,4-e][2,1,3]benzoxadiazole-3,8-diium and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.