2H-1,3,4-Oxadiazin-2-one, 3,6-dihydro-5-phenyl-
TL;DR: 2H-1,3,4-Oxadiazin-2-one, 3,6-dihydro-5-phenyl- (CAS 62501-39-7) is a chemical compound with molecular formula C9H8N2O2 and molecular weight 176.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-phenyl-3,6-dihydro-1,3,4-oxadiazin-2-one
Also Known As: 5-phenyl-3,6-dihydro-2h-1,3,4-oxadiazin-2-one, 2H-1,3,4-Oxadiazin-2-one, 3,6-dihydro-5-phenyl-, 3,6-Dihydro-5-phenyl-2H-1,3,4-oxadiazin-2-one, 5-Phenyl-3,6-dihydro-1,3,4-oxadiazin-2-one, 3,6-Dihydro-5-phenyl-1,3,4-oxadiazin-2-one
| Molecular Formula | C9H8N2O2 |
|---|---|
| Molecular Weight | 176.06 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 50.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 176.05858 |
| Heavy Atoms | 13 |
| Complexity | 232.0 |
Chemical Identifiers
| CAS Number | 62501-39-7 |
|---|---|
| SMILES | C1C(=NNC(=O)O1)C2=CC=CC=C2 |
| InChIKey | RUWHMZIBEYGMPG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2H-1,3,4-Oxadiazin-2-one, 3,6-dihydro-5-phenyl- (CAS 62501-39-7), with molecular formula C9H8N2O2 and molecular weight 176.06 g/mol. IUPAC: 5-phenyl-3,6-dihydro-1,3,4-oxadiazin-2-one.
Chemical Property Profile of 2H-1,3,4-Oxadiazin-2-one, 3,6-dihydro-5-phenyl-
Property Insights of 2H-1,3,4-Oxadiazin-2-one, 3,6-dihydro-5-phenyl-
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2H-1,3,4-Oxadiazin-2-one, 3,6-dihydro-5-phenyl-. With a topological polar surface area (TPSA) of 50.7 Ų, 2H-1,3,4-Oxadiazin-2-one, 3,6-dihydro-5-phenyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2H-1,3,4-Oxadiazin-2-one, 3,6-dihydro-5-phenyl- has 1 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 2H-1,3,4-Oxadiazin-2-one, 3,6-dihydro-5-phenyl-?
The CAS number of 2H-1,3,4-Oxadiazin-2-one, 3,6-dihydro-5-phenyl- is 62501-39-7.
What is the molecular formula of 2H-1,3,4-Oxadiazin-2-one, 3,6-dihydro-5-phenyl-?
The molecular formula of 2H-1,3,4-Oxadiazin-2-one, 3,6-dihydro-5-phenyl- is C9H8N2O2.
What is the molecular weight of 2H-1,3,4-Oxadiazin-2-one, 3,6-dihydro-5-phenyl-?
The molecular weight of 2H-1,3,4-Oxadiazin-2-one, 3,6-dihydro-5-phenyl- is 176.06 g/mol.
Where can I buy 2H-1,3,4-Oxadiazin-2-one, 3,6-dihydro-5-phenyl-?
You can request a quote for 2H-1,3,4-Oxadiazin-2-one, 3,6-dihydro-5-phenyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2H-1,3,4-Oxadiazin-2-one, 3,6-dihydro-5-phenyl-?
Yes, KEHONG BIO provides custom synthesis services for 2H-1,3,4-Oxadiazin-2-one, 3,6-dihydro-5-phenyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.