6,6-Dimethyl-1-oxido-5,7-dihydro-2,1,3-benzoxadiazol-1-ium-4-one
TL;DR: 6,6-Dimethyl-1-oxido-5,7-dihydro-2,1,3-benzoxadiazol-1-ium-4-one (CAS 40345-45-7) is a chemical compound with molecular formula C8H10N2O3 and molecular weight 182.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6,6-dimethyl-1-oxido-5,7-dihydro-2,1,3-benzoxadiazol-1-ium-4-one
Also Known As: 1-HYDROXY-6,6-DIMETHYL-2,5,6,7-TETRAHYDRO-2-OXABENZIMIDAZOL-4-ONE, 6,6-dimethyl-1-oxido-5,7-dihydro-2,1,3-benzoxadiazol-1-ium-4-one, 6,6-dimethyl-4-oxo-4,5,6,7-tetrahydro-2,1,3-benzoxadiazol-1-ium-1-olate, 3,3-dimethyl-9-oxido-8-oxa-7-aza-9-azoniabicyclo[4.3.0]nona-6,9-dien-5-one
| Molecular Formula | C8H10N2O3 |
|---|---|
| Molecular Weight | 182.07 g/mol |
| LogP | 0.4631 |
| Topological Polar Surface Area | 70.04 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 182.06914 |
| Heavy Atoms | 13 |
| Complexity | 367.4661 |
Chemical Identifiers
| CAS Number | 40345-45-7 |
|---|---|
| SMILES | CC1(CC2=[N+](ON=C2C(=O)C1)[O-])C |
Product Overview
6,6-Dimethyl-1-oxido-5,7-dihydro-2,1,3-benzoxadiazol-1-ium-4-one (CAS 40345-45-7), with molecular formula C8H10N2O3 and molecular weight 182.07 g/mol. IUPAC: 6,6-dimethyl-1-oxido-5,7-dihydro-2,1,3-benzoxadiazol-1-ium-4-one.
Chemical Property Profile of 6,6-Dimethyl-1-oxido-5,7-dihydro-2,1,3-benzoxadiazol-1-ium-4-one
Property Insights of 6,6-Dimethyl-1-oxido-5,7-dihydro-2,1,3-benzoxadiazol-1-ium-4-one
The XLogP value of 0.4631 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6,6-Dimethyl-1-oxido-5,7-dihydro-2,1,3-benzoxadiazol-1-ium-4-one. The TPSA of 70.04 Ų falls within the moderate polarity range, balancing permeability and solubility for 6,6-Dimethyl-1-oxido-5,7-dihydro-2,1,3-benzoxadiazol-1-ium-4-one. Following Lipinski's Rule of Five, 6,6-Dimethyl-1-oxido-5,7-dihydro-2,1,3-benzoxadiazol-1-ium-4-one has 0 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 6,6-Dimethyl-1-oxido-5,7-dihydro-2,1,3-benzoxadiazol-1-ium-4-one?
The CAS number of 6,6-Dimethyl-1-oxido-5,7-dihydro-2,1,3-benzoxadiazol-1-ium-4-one is 40345-45-7.
What is the molecular formula of 6,6-Dimethyl-1-oxido-5,7-dihydro-2,1,3-benzoxadiazol-1-ium-4-one?
The molecular formula of 6,6-Dimethyl-1-oxido-5,7-dihydro-2,1,3-benzoxadiazol-1-ium-4-one is C8H10N2O3.
What is the molecular weight of 6,6-Dimethyl-1-oxido-5,7-dihydro-2,1,3-benzoxadiazol-1-ium-4-one?
The molecular weight of 6,6-Dimethyl-1-oxido-5,7-dihydro-2,1,3-benzoxadiazol-1-ium-4-one is 182.07 g/mol.
Where can I buy 6,6-Dimethyl-1-oxido-5,7-dihydro-2,1,3-benzoxadiazol-1-ium-4-one?
You can request a quote for 6,6-Dimethyl-1-oxido-5,7-dihydro-2,1,3-benzoxadiazol-1-ium-4-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6,6-Dimethyl-1-oxido-5,7-dihydro-2,1,3-benzoxadiazol-1-ium-4-one?
Yes, KEHONG BIO provides custom synthesis services for 6,6-Dimethyl-1-oxido-5,7-dihydro-2,1,3-benzoxadiazol-1-ium-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.