3-(Methoxycarbonyl)-4-phenyl-1,2,5-oxadiazole 2-Oxide
TL;DR: 3-(Methoxycarbonyl)-4-phenyl-1,2,5-oxadiazole 2-Oxide (CAS 125520-58-3) is a chemical compound with molecular formula C10H8N2O4 and molecular weight 220.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-oxido-4-phenyl-1,2,5-oxadiazol-2-ium-3-carboxylate
Also Known As: Methyl Phenylfurazancarboxylic Acid 2-Oxide, 3-(Methoxycarbonyl)-4-phenyl-furazan-2-oxide, 3-(Methoxycarbonyl)-4-phenyl-1,2,5-oxadiazole 2-Oxide, 3-(methoxycarbonyl)-4-phenyl-1,2,5-oxadiazol-2-ium-2-olate, methyl 2-oxido-4-phenyl-1,2,5-oxadiazol-2-ium-3-carboxylate
| Molecular Formula | C10H8N2O4 |
|---|---|
| Molecular Weight | 220.05 g/mol |
| LogP | 0.7616 |
| Topological Polar Surface Area | 79.27 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 220.0484 |
| Heavy Atoms | 16 |
| Complexity | 506.7925 |
Chemical Identifiers
| CAS Number | 125520-58-3 |
|---|---|
| SMILES | COC(=O)C1=[N+](ON=C1C2=CC=CC=C2)[O-] |
Product Overview
3-(Methoxycarbonyl)-4-phenyl-1,2,5-oxadiazole 2-Oxide (CAS 125520-58-3), with molecular formula C10H8N2O4 and molecular weight 220.05 g/mol. IUPAC: methyl 2-oxido-4-phenyl-1,2,5-oxadiazol-2-ium-3-carboxylate.
Chemical Property Profile of 3-(Methoxycarbonyl)-4-phenyl-1,2,5-oxadiazole 2-Oxide
Property Insights of 3-(Methoxycarbonyl)-4-phenyl-1,2,5-oxadiazole 2-Oxide
The XLogP value of 0.7616 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(Methoxycarbonyl)-4-phenyl-1,2,5-oxadiazole 2-Oxide. The TPSA of 79.27 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(Methoxycarbonyl)-4-phenyl-1,2,5-oxadiazole 2-Oxide. Following Lipinski's Rule of Five, 3-(Methoxycarbonyl)-4-phenyl-1,2,5-oxadiazole 2-Oxide has 0 hydrogen bond donor(s) and 5 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 3-(Methoxycarbonyl)-4-phenyl-1,2,5-oxadiazole 2-Oxide?
The CAS number of 3-(Methoxycarbonyl)-4-phenyl-1,2,5-oxadiazole 2-Oxide is 125520-58-3.
What is the molecular formula of 3-(Methoxycarbonyl)-4-phenyl-1,2,5-oxadiazole 2-Oxide?
The molecular formula of 3-(Methoxycarbonyl)-4-phenyl-1,2,5-oxadiazole 2-Oxide is C10H8N2O4.
What is the molecular weight of 3-(Methoxycarbonyl)-4-phenyl-1,2,5-oxadiazole 2-Oxide?
The molecular weight of 3-(Methoxycarbonyl)-4-phenyl-1,2,5-oxadiazole 2-Oxide is 220.05 g/mol.
Where can I buy 3-(Methoxycarbonyl)-4-phenyl-1,2,5-oxadiazole 2-Oxide?
You can request a quote for 3-(Methoxycarbonyl)-4-phenyl-1,2,5-oxadiazole 2-Oxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(Methoxycarbonyl)-4-phenyl-1,2,5-oxadiazole 2-Oxide?
Yes, KEHONG BIO provides custom synthesis services for 3-(Methoxycarbonyl)-4-phenyl-1,2,5-oxadiazole 2-Oxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.