![CAS 862095-77-0 (R)-Benzyl-2-[4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazolium Tetrafluoroborate molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/b3592-jpgcontextbwfzdgvyfhjvb3r8mzazndd8aw1hz2uvanblz3xonmivagixlzg5mjg5nzm3ntazmdivqjm1otiuanbnfde4ognjzdmyndyxmdjlzjgzzdvkmzdjytawmza2mmzhowi1mgjknzzknzdjmtg1nwezmje4zwzmmja4n2mymzm.jpeg)
CAS RN: 862095-77-0
(R)-Benzyl-2-[4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazolium Tetrafluoroborate
Product Availability
Choose a grade to view its available package options.
2 package records1 with current stock2 grade groups
- Product code: SSC-195103
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: 1g
- 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 |
|---|---|---|---|---|
| 1g | ≥97% | 0 Out of Stock | Shenzhen | Inquiry |
862095-77-0 / (5R)-5-benzyl-2-[4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-4-ium tetrafluoroborate
Basic Information
CAS
862095-77-0
Multi CAS
Yes
Molecular Formula
BC19F7H17N3
Molecular Weight
431.200000
Exact Mass
431.140375
InChI
InChI=1S/C19H17F3N3.BF4/c20-19(21,22)15-6-8-16(9-7-15)25-13-24-17(10-11-18(24)23-25)12-14-4-2-1-3-5-14;2-1(3,4)5/h1-9,13,17H,10-12H2;/q+1;-1/t17-;/m1./s1
InChIKey
UDDOGJQUYCEOBY-UNTBIKODSA-N
Computed Properties
Structural Parameters
Heavy atom count
30
Aromatic heavy atom count
17
Fraction Csp3
0.26
Rotatable bonds
3
H-bond acceptors
2
Molar refractivity
96.45
TPSA
21.7
LogP / Solubility
WLOGP
5.21
MLOGP
4.61
XLogP3
5.21
Consensus LogP
5.01
Log S (ESOL)
-6.02
Class (ESOL)
Insoluble
Log S (Ali)
-6.86
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.15
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)
-1.65
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3.5
Customers Also Viewed
-
1,4-Bis(dicyclohexylphosphonium)butane Bis(tetrafluoroborate)
- CAS RN: 1389309-54-9
- Product Code: SSC-049077
-
Bis[η-(2,5-norbornadiene)]rhodium(I) Tetrafluoroborate
- CAS RN: 36620-11-8
- Product Code: ICTB2091
-
Bis(1,5-cyclooctadiene)rhodium(I) Tetrafluoroborate
- CAS RN: 35138-22-8
- Product Code: SSC-141960
-
-
-
![CAS 36620-11-8 Bis[η-(2,5-norbornadiene)]rhodium(I) Tetrafluoroborate molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/b2091-jpgcontextbwfzdgvyfhjvb3r8mzy0mdd8aw1hz2uvanblz3xoyjkvadk3lzg5mjg3njkynzc5odivqjiwoteuanbnfdzhoti2ntmzzjayn2q0y2qwytk4mzflmdnlzgfinwuxzgu3mdg4nwu2mmjlogqynthjywq2owm0ntg2mduyzmq.jpeg)
