Methyl 1-oxo-2,1lambda~5~,3-benzoxadiazole-5-carboxylate
TL;DR: Methyl 1-oxo-2,1lambda~5~,3-benzoxadiazole-5-carboxylate (CAS 53178-59-9) is a chemical compound with molecular formula C8H6N2O4 and molecular weight 194.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 1-oxido-2,1,3-benzoxadiazol-1-ium-5-carboxylate
Also Known As: TimTec1_007228, methyl benzofuroxan-5-carboxylate, BAS 04912632, Methyl 2,1,3-benzoxadiazole-5-carboxylate 1-oxide, methyl 1-oxido-2,1,3-benzoxadiazol-1-ium-5-carboxylate
| Molecular Formula | C8H6N2O4 |
|---|---|
| Molecular Weight | 194.03 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 77.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 194.03276 |
| Heavy Atoms | 14 |
| Complexity | 235.0 |
Chemical Identifiers
| CAS Number | 53178-59-9 |
|---|---|
| SMILES | COC(=O)C1=CC2=NO[N+](=C2C=C1)[O-] |
| InChIKey | RNWZDPNHUZUYQZ-UHFFFAOYSA-N |
Product Overview
Methyl 1-oxo-2,1lambda~5~,3-benzoxadiazole-5-carboxylate (CAS 53178-59-9), with molecular formula C8H6N2O4 and molecular weight 194.03 g/mol. IUPAC: methyl 1-oxido-2,1,3-benzoxadiazol-1-ium-5-carboxylate.
Chemical Property Profile of Methyl 1-oxo-2,1lambda~5~,3-benzoxadiazole-5-carboxylate
Property Insights of Methyl 1-oxo-2,1lambda~5~,3-benzoxadiazole-5-carboxylate
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 1-oxo-2,1lambda~5~,3-benzoxadiazole-5-carboxylate. The TPSA of 77.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 1-oxo-2,1lambda~5~,3-benzoxadiazole-5-carboxylate. Following Lipinski's Rule of Five, Methyl 1-oxo-2,1lambda~5~,3-benzoxadiazole-5-carboxylate 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 Methyl 1-oxo-2,1lambda~5~,3-benzoxadiazole-5-carboxylate?
The CAS number of Methyl 1-oxo-2,1lambda~5~,3-benzoxadiazole-5-carboxylate is 53178-59-9.
What is the molecular formula of Methyl 1-oxo-2,1lambda~5~,3-benzoxadiazole-5-carboxylate?
The molecular formula of Methyl 1-oxo-2,1lambda~5~,3-benzoxadiazole-5-carboxylate is C8H6N2O4.
What is the molecular weight of Methyl 1-oxo-2,1lambda~5~,3-benzoxadiazole-5-carboxylate?
The molecular weight of Methyl 1-oxo-2,1lambda~5~,3-benzoxadiazole-5-carboxylate is 194.03 g/mol.
Where can I buy Methyl 1-oxo-2,1lambda~5~,3-benzoxadiazole-5-carboxylate?
You can request a quote for Methyl 1-oxo-2,1lambda~5~,3-benzoxadiazole-5-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 1-oxo-2,1lambda~5~,3-benzoxadiazole-5-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 1-oxo-2,1lambda~5~,3-benzoxadiazole-5-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.