CAS RN: 1175052-07-9
8-isopropyltriazole salt
Product Availability
Choose a grade to view its available package options.
5 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250619 | 100mg | In stock | Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu | Inquiry | |
| Batchno.20250902 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry | |
| Batchno.20250709 | 1g | Out of stock | Inquiry | ||
| Batchno.20260616 | 250mg | Out of stock | Inquiry | ||
| Batchno.20260114 | 5g | Out of stock | Inquiry |
- Product code: SSC-017361
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 0.25g
- Available purity: ＞97%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 0.25g | ＞97% | 0 Out of Stock | Shenzhen | Inquiry |
1175052-07-9 / (5R)-2-(2,3,4,5,6-pentafluorophenyl)-5-propan-2-yl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-4-ium tetrafluoroborate
8-isopropyltriazole salt | (R)-5-isopropyl-2-(perfluorophenyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-2-ium tetrafluoroborate | MFCD29037371
Basic Information
CAS
1175052-07-9
Multi CAS
Yes
Molecular Formula
C14H13BF9N3
Molecular Weight
405.070000
Exact Mass
405.105881
SMILES
[B-](F)(F)(F)F.CC(C)[C@H]1CCC2=NN(C=[N+]12)C3=C(C(=C(C(=C3F)F)F)F)F
InChI
InChI=1S/C14H13F5N3.BF4/c1-6(2)7-3-4-8-20-22(5-21(7)8)14-12(18)10(16)9(15)11(17)13(14)19;2-1(3,4)5/h5-7H,3-4H2,1-2H3;/q+1;-1/t7-;/m1./s1
InChIKey
FOAWSOXNEWZIRE-OGFXRTJISA-N
Synonyms
8-isopropyltriazole salt
(R)-5-isopropyl-2-(perfluorophenyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-2-ium tetrafluoroborate
MFCD29037371
C14H13BF9N3
SY412289
Computed Properties
Structural Parameters
Heavy atom count
27
Aromatic heavy atom count
11
Fraction Csp3
0.43
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
75.93
TPSA
21.7
LogP / Solubility
WLOGP
4.3
MLOGP
3.81
XLogP3
4.3
Consensus LogP
4.14
Log S (ESOL)
-5.23
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.99
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.1
Class (SILICOS-IT)
Insoluble
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)
-2.14
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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