![CAS 2170152-85-7 2-Mesityl-5,6-dihydro-8H-[1,2,4]triazolo[3,4-c][1,4]oxazin-2-ium tetrafluoroborate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2170152-85-7.png)
CAS RN: 2170152-85-7
2-Mesityl-5,6-dihydro-8H-[1,2,4]triazolo[3,4-c][1,4]oxazin-2-ium tetrafluoroborate
Product Availability
Choose a grade to view its available package options.
5 package records5 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250719 | 100mg | In stock | Shanghai | Inquiry |
| Batchno.20251006 | 1g | In stock | Shanghai | Inquiry |
| Batchno.20260608 | 250mg | In stock | Shanghai, Shenzhen | Inquiry |
| Batchno.20250914 | 50mg | In stock | Shanghai, Shenzhen | Inquiry |
| Batchno.20250706 | 5g | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS2170152-85-7
- Purity/Analytical Methods: >99.0%
2170152-85-7 / 2-(2,4,6-trimethylphenyl)-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazin-4-ium tetrafluoroborate
Basic Information
CAS
2170152-85-7
Multi CAS
No
Molecular Formula
C14H18BF4N3O
Molecular Weight
331.120000
Exact Mass
331.147905
SMILES
[B-](F)(F)(F)F.CC1=CC(=C(C(=C1)C)N2C=[N+]3CCOCC3=N2)C
InChI
InChI=1S/C14H18N3O.BF4/c1-10-6-11(2)14(12(3)7-10)17-9-16-4-5-18-8-13(16)15-17;2-1(3,4)5/h6-7,9H,4-5,8H2,1-3H3;/q+1;-1
InChIKey
NWFDAZIPQQNPHR-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
23
Aromatic heavy atom count
11
Fraction Csp3
0.43
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
77.81
TPSA
30.93
LogP / Solubility
WLOGP
2.92
MLOGP
2.58
XLogP3
2.92
Consensus LogP
2.81
Log S (ESOL)
-4.02
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.38
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.35
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.67
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2.5
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