![CAS 1631733-83-9 (5S)-5,6-dihydro-5-(1-methylethyl)-2-(2,4,6-trimethylphenyl)-8H-1,2,4-Triazolo[3,4-c][1,4]oxazinium tetrafluoroborate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1631733-83-9.gif)
CAS RN: 1631733-83-9
(5S)-5,6-dihydro-5-(1-methylethyl)-2-(2,4,6-trimethylphenyl)-8H-1,2,4-Triazolo[3,4-c][1,4]oxazinium tetrafluoroborate
Product Availability
Choose a grade to view its available package options.
6 package records4 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20260322 | 100mg | In stock | Shanghai, Shenzhen | Inquiry | |
| Batchno.20250124 | 1g | In stock | Shanghai | Inquiry | |
| Batchno.20260520 | 250mg | In stock | Shanghai | Inquiry | |
| Batchno.20250109 | 50mg | In stock | Shenzhen | Inquiry | |
| Batchno.20250213 | 50mg | Out of stock | 8-10 business days | Inquiry | |
| Batchno.20260218 | 5g | Out of stock | Inquiry |
- Product code: starshine_CAS1631733-83-9
- Purity/Analytical Methods: >99.0%
1631733-83-9 / (5S)-5-propan-2-yl-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
1631733-83-9
Multi CAS
No
Molecular Formula
C17H24BF4N3O
Molecular Weight
373.200000
Exact Mass
373.194855
SMILES
[B-](F)(F)(F)F.CC1=CC(=C(C(=C1)C)N2C=[N+]3[C@H](COCC3=N2)C(C)C)C
InChI
InChI=1S/C17H24N3O.BF4/c1-11(2)15-8-21-9-16-18-20(10-19(15)16)17-13(4)6-12(3)7-14(17)5;2-1(3,4)5/h6-7,10-11,15H,8-9H2,1-5H3;/q+1;-1/t15-;/m1./s1
InChIKey
VPUACVDSTXQTKJ-XFULWGLBSA-N
Computed Properties
Structural Parameters
Heavy atom count
26
Aromatic heavy atom count
11
Fraction Csp3
0.53
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
91.69
TPSA
30.93
LogP / Solubility
WLOGP
4.11
MLOGP
3.64
XLogP3
4.11
Consensus LogP
3.95
Log S (ESOL)
-4.93
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.59
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.74
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.08
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3
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