4,4-Dimethoxy-4,5,6,7-tetrahydro-2,1,3-benzoxadiazol-5-ol 1-oxide
TL;DR: 4,4-Dimethoxy-4,5,6,7-tetrahydro-2,1,3-benzoxadiazol-5-ol 1-oxide (CAS 330982-47-3) is a chemical compound with molecular formula C8H12N2O5 and molecular weight 216.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,4-dimethoxy-1-oxido-6,7-dihydro-5H-2,1,3-benzoxadiazol-1-ium-5-ol
Also Known As: NCI60_021983, 4,4-dimethoxy-1-oxido-6,7-dihydro-5H-2,1,3-benzoxadiazol-1-ium-5-ol, 4,4-Dimethoxy-4,5,6,7-tetrahydro-2,1,3-benzoxadiazol-5-ol 1-oxide, 2,1,3-Benzoxadiazol-5-ol, 4,5,6,7-tetrahydro-4,4-dimethoxy-, 1-oxide, 4,4-Dimethoxy-4,5,6,7-tetrahydro-2,1.lambda.~5~,3-benzoxadiazole-1,5-diol
| Molecular Formula | C8H12N2O5 |
|---|---|
| Molecular Weight | 216.07 g/mol |
| LogP | -0.7 |
| Topological Polar Surface Area | 90.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 216.07462 |
| Heavy Atoms | 15 |
| Complexity | 235.0 |
Chemical Identifiers
| CAS Number | 330982-47-3 |
|---|---|
| SMILES | COC1(C(CCC2=[N+](ON=C21)[O-])O)OC |
| InChIKey | YCKQVGQMORSQNB-UHFFFAOYSA-N |
Product Overview
4,4-Dimethoxy-4,5,6,7-tetrahydro-2,1,3-benzoxadiazol-5-ol 1-oxide (CAS 330982-47-3), with molecular formula C8H12N2O5 and molecular weight 216.07 g/mol. IUPAC: 4,4-dimethoxy-1-oxido-6,7-dihydro-5H-2,1,3-benzoxadiazol-1-ium-5-ol.
Chemical Property Profile of 4,4-Dimethoxy-4,5,6,7-tetrahydro-2,1,3-benzoxadiazol-5-ol 1-oxide
Property Insights of 4,4-Dimethoxy-4,5,6,7-tetrahydro-2,1,3-benzoxadiazol-5-ol 1-oxide
The XLogP value of -0.7 indicates that 4,4-Dimethoxy-4,5,6,7-tetrahydro-2,1,3-benzoxadiazol-5-ol 1-oxide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 90.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 4,4-Dimethoxy-4,5,6,7-tetrahydro-2,1,3-benzoxadiazol-5-ol 1-oxide. Following Lipinski's Rule of Five, 4,4-Dimethoxy-4,5,6,7-tetrahydro-2,1,3-benzoxadiazol-5-ol 1-oxide has 1 hydrogen bond donor(s) and 6 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 4,4-Dimethoxy-4,5,6,7-tetrahydro-2,1,3-benzoxadiazol-5-ol 1-oxide?
The CAS number of 4,4-Dimethoxy-4,5,6,7-tetrahydro-2,1,3-benzoxadiazol-5-ol 1-oxide is 330982-47-3.
What is the molecular formula of 4,4-Dimethoxy-4,5,6,7-tetrahydro-2,1,3-benzoxadiazol-5-ol 1-oxide?
The molecular formula of 4,4-Dimethoxy-4,5,6,7-tetrahydro-2,1,3-benzoxadiazol-5-ol 1-oxide is C8H12N2O5.
What is the molecular weight of 4,4-Dimethoxy-4,5,6,7-tetrahydro-2,1,3-benzoxadiazol-5-ol 1-oxide?
The molecular weight of 4,4-Dimethoxy-4,5,6,7-tetrahydro-2,1,3-benzoxadiazol-5-ol 1-oxide is 216.07 g/mol.
Where can I buy 4,4-Dimethoxy-4,5,6,7-tetrahydro-2,1,3-benzoxadiazol-5-ol 1-oxide?
You can request a quote for 4,4-Dimethoxy-4,5,6,7-tetrahydro-2,1,3-benzoxadiazol-5-ol 1-oxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,4-Dimethoxy-4,5,6,7-tetrahydro-2,1,3-benzoxadiazol-5-ol 1-oxide?
Yes, KEHONG BIO provides custom synthesis services for 4,4-Dimethoxy-4,5,6,7-tetrahydro-2,1,3-benzoxadiazol-5-ol 1-oxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.