4-Methyl-2,1,3-benzoxadiazol-1-ium-1-olate
TL;DR: 4-Methyl-2,1,3-benzoxadiazol-1-ium-1-olate (CAS 3523-86-2) is a chemical compound with molecular formula C7H6N2O2 and molecular weight 150.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methyl-1-oxido-2,1,3-benzoxadiazol-1-ium
Also Known As: 4-Methylbenzo[c][1,2,5]oxadiazole 1-oxide, 4-methylbenzofurazan oxide, methylbenzofurazan-1-oxide, 2,1,3-Benzoxadiazole, 4-methyl-, 1-oxide, 4-Methylbenzofurazane 1-oxide
| Molecular Formula | C7H6N2O2 |
|---|---|
| Molecular Weight | 150.04 g/mol |
| LogP | 0.76962 |
| Topological Polar Surface Area | 52.97 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 150.04292 |
| Heavy Atoms | 11 |
| Complexity | 394.23996 |
Chemical Identifiers
| CAS Number | 3523-86-2 |
|---|---|
| SMILES | CC1=CC=CC2=[N+](ON=C12)[O-] |
Product Overview
4-Methyl-2,1,3-benzoxadiazol-1-ium-1-olate (CAS 3523-86-2), with molecular formula C7H6N2O2 and molecular weight 150.04 g/mol. IUPAC: 4-methyl-1-oxido-2,1,3-benzoxadiazol-1-ium.
Chemical Property Profile of 4-Methyl-2,1,3-benzoxadiazol-1-ium-1-olate
Property Insights of 4-Methyl-2,1,3-benzoxadiazol-1-ium-1-olate
The XLogP value of 0.76962 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Methyl-2,1,3-benzoxadiazol-1-ium-1-olate. With a topological polar surface area (TPSA) of 52.97 Ų, 4-Methyl-2,1,3-benzoxadiazol-1-ium-1-olate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Methyl-2,1,3-benzoxadiazol-1-ium-1-olate has 0 hydrogen bond donor(s) and 3 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-Methyl-2,1,3-benzoxadiazol-1-ium-1-olate?
The CAS number of 4-Methyl-2,1,3-benzoxadiazol-1-ium-1-olate is 3523-86-2.
What is the molecular formula of 4-Methyl-2,1,3-benzoxadiazol-1-ium-1-olate?
The molecular formula of 4-Methyl-2,1,3-benzoxadiazol-1-ium-1-olate is C7H6N2O2.
What is the molecular weight of 4-Methyl-2,1,3-benzoxadiazol-1-ium-1-olate?
The molecular weight of 4-Methyl-2,1,3-benzoxadiazol-1-ium-1-olate is 150.04 g/mol.
Where can I buy 4-Methyl-2,1,3-benzoxadiazol-1-ium-1-olate?
You can request a quote for 4-Methyl-2,1,3-benzoxadiazol-1-ium-1-olate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Methyl-2,1,3-benzoxadiazol-1-ium-1-olate?
Yes, KEHONG BIO provides custom synthesis services for 4-Methyl-2,1,3-benzoxadiazol-1-ium-1-olate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.