![7-methyl-6H-[1,2,5]oxadiazolo[3,4-e]indole 3-oxide structure](/static/products/164/164355-97-9.png)
7-methyl-6H-[1,2,5]oxadiazolo[3,4-e]indole 3-oxide
TL;DR: 7-methyl-6H-[1,2,5]oxadiazolo[3,4-e]indole 3-oxide (CAS 164355-97-9) is a chemical compound with molecular formula C9H7N3O2 and molecular weight 189.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-hydroxy-7-methylpyrrolo[3,2-e][2,1,3]benzoxadiazole
Also Known As: BAS 00056310, 7-methyl-6H-[1,2,5]oxadiazolo[3,4-e]indole 3-oxide, AE-848/32771019, 3-hydroxy-7-methylpyrrolo[3,2-e][2,1,3]benzoxadiazole, 7-Methyl-6H-2-oxa-1,3,6-triaza-as-indacene 3-oxide
| Molecular Formula | C9H7N3O2 |
|---|---|
| Molecular Weight | 189.05 g/mol |
| LogP | 1.72322 |
| Topological Polar Surface Area | 64.08 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 189.05383 |
| Heavy Atoms | 14 |
| Complexity | 623.3417 |
Chemical Identifiers
| CAS Number | 164355-97-9 |
|---|---|
| SMILES | CC1=NC2=CC=C3C(=NON3O)C2=C1 |
Product Overview
7-methyl-6H-[1,2,5]oxadiazolo[3,4-e]indole 3-oxide (CAS 164355-97-9), with molecular formula C9H7N3O2 and molecular weight 189.05 g/mol. IUPAC: 3-hydroxy-7-methylpyrrolo[3,2-e][2,1,3]benzoxadiazole.
Chemical Property Profile of 7-methyl-6H-[1,2,5]oxadiazolo[3,4-e]indole 3-oxide
Property Insights of 7-methyl-6H-[1,2,5]oxadiazolo[3,4-e]indole 3-oxide
The XLogP value of 1.72322 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-methyl-6H-[1,2,5]oxadiazolo[3,4-e]indole 3-oxide. The TPSA of 64.08 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-methyl-6H-[1,2,5]oxadiazolo[3,4-e]indole 3-oxide. Following Lipinski's Rule of Five, 7-methyl-6H-[1,2,5]oxadiazolo[3,4-e]indole 3-oxide has 1 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 7-methyl-6H-[1,2,5]oxadiazolo[3,4-e]indole 3-oxide?
The CAS number of 7-methyl-6H-[1,2,5]oxadiazolo[3,4-e]indole 3-oxide is 164355-97-9.
What is the molecular formula of 7-methyl-6H-[1,2,5]oxadiazolo[3,4-e]indole 3-oxide?
The molecular formula of 7-methyl-6H-[1,2,5]oxadiazolo[3,4-e]indole 3-oxide is C9H7N3O2.
What is the molecular weight of 7-methyl-6H-[1,2,5]oxadiazolo[3,4-e]indole 3-oxide?
The molecular weight of 7-methyl-6H-[1,2,5]oxadiazolo[3,4-e]indole 3-oxide is 189.05 g/mol.
Where can I buy 7-methyl-6H-[1,2,5]oxadiazolo[3,4-e]indole 3-oxide?
You can request a quote for 7-methyl-6H-[1,2,5]oxadiazolo[3,4-e]indole 3-oxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-methyl-6H-[1,2,5]oxadiazolo[3,4-e]indole 3-oxide?
Yes, KEHONG BIO provides custom synthesis services for 7-methyl-6H-[1,2,5]oxadiazolo[3,4-e]indole 3-oxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.