6-(4-Chloro-3-methylphenyl)-5,6-dimethyl-6H-1,3,4-oxadiazin-2-ol
TL;DR: 6-(4-Chloro-3-methylphenyl)-5,6-dimethyl-6H-1,3,4-oxadiazin-2-ol (CAS 105889-15-4) is a chemical compound with molecular formula C12H13ClN2O2 and molecular weight 252.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(4-chloro-3-methylphenyl)-5,6-dimethyl-3H-1,3,4-oxadiazin-2-one
Also Known As: 2H-1,3,4-Oxadiazin-2-one, 3,6-dihydro-6-(4-chloro-m-tolyl)-5,6-dimethyl-, 3,6-Dihydro-6-(4-chloro-m-tolyl)-5,6-dimethyl-2H-1,3,4-oxadiazin-2-one, 2H-1,3,4-Oxadiazin-2-one, 6-(4-chloro-3-methylphenyl)-3,6-dihydro-5,6-dimethyl-, 6-(4-chloro-3-methylphenyl)-5,6-dimethyl-3H-1,3,4-oxadiazin-2-one, 6-(4-Chloro-3-methylphenyl)-5,6-dimethyl-6H-1,3,4-oxadiazin-2-ol
| Molecular Formula | C12H13ClN2O2 |
|---|---|
| Molecular Weight | 252.07 g/mol |
| LogP | 2.97932 |
| Topological Polar Surface Area | 50.69 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 252.06656 |
| Heavy Atoms | 17 |
| Complexity | 513.2271 |
Chemical Identifiers
| CAS Number | 105889-15-4 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)C2(C(=NNC(=O)O2)C)C)Cl |
Product Overview
6-(4-Chloro-3-methylphenyl)-5,6-dimethyl-6H-1,3,4-oxadiazin-2-ol (CAS 105889-15-4), with molecular formula C12H13ClN2O2 and molecular weight 252.07 g/mol. IUPAC: 6-(4-chloro-3-methylphenyl)-5,6-dimethyl-3H-1,3,4-oxadiazin-2-one.
Chemical Property Profile of 6-(4-Chloro-3-methylphenyl)-5,6-dimethyl-6H-1,3,4-oxadiazin-2-ol
Property Insights of 6-(4-Chloro-3-methylphenyl)-5,6-dimethyl-6H-1,3,4-oxadiazin-2-ol
The XLogP value of 2.97932 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-(4-Chloro-3-methylphenyl)-5,6-dimethyl-6H-1,3,4-oxadiazin-2-ol. With a topological polar surface area (TPSA) of 50.69 Ų, 6-(4-Chloro-3-methylphenyl)-5,6-dimethyl-6H-1,3,4-oxadiazin-2-ol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-(4-Chloro-3-methylphenyl)-5,6-dimethyl-6H-1,3,4-oxadiazin-2-ol 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 6-(4-Chloro-3-methylphenyl)-5,6-dimethyl-6H-1,3,4-oxadiazin-2-ol?
The CAS number of 6-(4-Chloro-3-methylphenyl)-5,6-dimethyl-6H-1,3,4-oxadiazin-2-ol is 105889-15-4.
What is the molecular formula of 6-(4-Chloro-3-methylphenyl)-5,6-dimethyl-6H-1,3,4-oxadiazin-2-ol?
The molecular formula of 6-(4-Chloro-3-methylphenyl)-5,6-dimethyl-6H-1,3,4-oxadiazin-2-ol is C12H13ClN2O2.
What is the molecular weight of 6-(4-Chloro-3-methylphenyl)-5,6-dimethyl-6H-1,3,4-oxadiazin-2-ol?
The molecular weight of 6-(4-Chloro-3-methylphenyl)-5,6-dimethyl-6H-1,3,4-oxadiazin-2-ol is 252.07 g/mol.
Where can I buy 6-(4-Chloro-3-methylphenyl)-5,6-dimethyl-6H-1,3,4-oxadiazin-2-ol?
You can request a quote for 6-(4-Chloro-3-methylphenyl)-5,6-dimethyl-6H-1,3,4-oxadiazin-2-ol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-(4-Chloro-3-methylphenyl)-5,6-dimethyl-6H-1,3,4-oxadiazin-2-ol?
Yes, KEHONG BIO provides custom synthesis services for 6-(4-Chloro-3-methylphenyl)-5,6-dimethyl-6H-1,3,4-oxadiazin-2-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.