2,1,3-Benzoxadiazol-4(5H)-one, 5-bromo-6,7-dihydro-
TL;DR: 2,1,3-Benzoxadiazol-4(5H)-one, 5-bromo-6,7-dihydro- (CAS 30249-14-0) is a chemical compound with molecular formula C6H5BrN2O2 and molecular weight 215.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-bromo-6,7-dihydro-5H-2,1,3-benzoxadiazol-4-one
Also Known As: 5-bromo-4,5,6,7-tetrahydro-2,1,3-benzoxadiazol-4-one, 5-bromo-6,7-dihydro-5H-2,1,3-benzoxadiazol-4-one, L-Argininealpha-ketoglutarate(1:1), 5-Bromo-6,7-dihydrobenzo[c][1,2,5]oxadiazol-4(5H)-one, 5-Bromo-4-oxo-4,5,6,7-tetrahydrobenzofurazan
| Molecular Formula | C6H5BrN2O2 |
|---|---|
| Molecular Weight | 215.95 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 56.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 215.95345 |
| Heavy Atoms | 11 |
| Complexity | 187.0 |
Chemical Identifiers
| CAS Number | 30249-14-0 |
|---|---|
| SMILES | C1CC2=NON=C2C(=O)C1Br |
| InChIKey | RLBJBTYYLDXIHR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,1,3-Benzoxadiazol-4(5H)-one, 5-bromo-6,7-dihydro- (CAS 30249-14-0), with molecular formula C6H5BrN2O2 and molecular weight 215.95 g/mol. IUPAC: 5-bromo-6,7-dihydro-5H-2,1,3-benzoxadiazol-4-one.
Chemical Property Profile of 2,1,3-Benzoxadiazol-4(5H)-one, 5-bromo-6,7-dihydro-
Property Insights of 2,1,3-Benzoxadiazol-4(5H)-one, 5-bromo-6,7-dihydro-
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,1,3-Benzoxadiazol-4(5H)-one, 5-bromo-6,7-dihydro-. With a topological polar surface area (TPSA) of 56.0 Ų, 2,1,3-Benzoxadiazol-4(5H)-one, 5-bromo-6,7-dihydro- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,1,3-Benzoxadiazol-4(5H)-one, 5-bromo-6,7-dihydro- 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 2,1,3-Benzoxadiazol-4(5H)-one, 5-bromo-6,7-dihydro-?
The CAS number of 2,1,3-Benzoxadiazol-4(5H)-one, 5-bromo-6,7-dihydro- is 30249-14-0.
What is the molecular formula of 2,1,3-Benzoxadiazol-4(5H)-one, 5-bromo-6,7-dihydro-?
The molecular formula of 2,1,3-Benzoxadiazol-4(5H)-one, 5-bromo-6,7-dihydro- is C6H5BrN2O2.
What is the molecular weight of 2,1,3-Benzoxadiazol-4(5H)-one, 5-bromo-6,7-dihydro-?
The molecular weight of 2,1,3-Benzoxadiazol-4(5H)-one, 5-bromo-6,7-dihydro- is 215.95 g/mol.
Where can I buy 2,1,3-Benzoxadiazol-4(5H)-one, 5-bromo-6,7-dihydro-?
You can request a quote for 2,1,3-Benzoxadiazol-4(5H)-one, 5-bromo-6,7-dihydro- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,1,3-Benzoxadiazol-4(5H)-one, 5-bromo-6,7-dihydro-?
Yes, KEHONG BIO provides custom synthesis services for 2,1,3-Benzoxadiazol-4(5H)-one, 5-bromo-6,7-dihydro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.