CAS RN: 971-66-4
Triphenylborane – Pyridine Complex
Product Availability
Choose a grade to view its available package options.
3 package records3 with current stock1 grade group
- Product code: SSC-212205
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: 5g
- Available purity: ≥95%
- 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 |
|---|---|---|---|---|
| 5g | ≥95% | 0 Out of Stock | Beijing | Inquiry |
971-66-4 / pyridine;triphenylborane
Basic Information
CAS
971-66-4
Multi CAS
Yes
Molecular Formula
BC23H20N
Molecular Weight
321.200000
Exact Mass
321.168880
InChI
InChI=1S/C18H15B.C5H5N/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-2-4-6-5-3-1/h1-15H;1-5H
InChIKey
WJSXSXUHWBSPEP-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
25
Aromatic heavy atom count
24
Rotatable bonds
3
H-bond acceptors
1
Molar refractivity
108.22
TPSA
12.89
LogP / Solubility
WLOGP
3.28
MLOGP
2.9
XLogP3
3.28
Consensus LogP
3.15
Log S (ESOL)
-4.41
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.57
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.83
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)
-2.35
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
3
Customers Also Viewed
-
![CAS 79060-88-1 Sodium Tetrakis[3,5-bis(trifluoromethyl)phenyl]borate Hydrate molecular structure](data:image/svg+xml,%3Csvg%20xmlns='http://www.w3.org/2000/svg'%20viewBox='0%200%200%200'%3E%3C/svg%3E)
Sodium Tetrakis[3,5-bis(trifluoromethyl)phenyl]borate Hydrate
- CAS RN: 79060-88-1
- Product Code: SSC-188269
-
Triphenylborane – Sodium Hydroxide Adduct (7-10% in Water)
- CAS RN: 12113-07-4
- Product Code: ICTT1085
-
-
-
-
![CAS 79060-88-1 Sodium Tetrakis[3,5-bis(trifluoromethyl)phenyl]borate Hydrate molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/s0447-jpgcontextbwfzdgvyfhjvb3r8ndy0mdb8aw1hz2uvanblz3xongqvagfmlzg5mziyndu4mze3mtavuza0ndcuanbnfgu2ngi0owiznzhkmtm2njq1zjzlytixnmiyn2jiodrmm2iwmtvhzja1yzexmtdlmtu3otdmm2fizjewn2nlmzm.jpeg)
