CAS RN: 462-05-5
BORON TRIFLUORIDE-PHENOL COMPLEX (1:2)
Product Availability
Choose a grade to view its available package options.
3 package records3 with current stock1 grade group
- Product code: starshine_CAS462-05-5
- Purity/Analytical Methods: >99.0%
462-05-5 / phenol;trifluoroborane
Basic Information
CAS
462-05-5
Multi CAS
Yes
Molecular Formula
BC6F3H6O
Molecular Weight
161.920000
Exact Mass
162.046380
InChI
InChI=1S/C6H6O.BF3/c7-6-4-2-1-3-5-6;2-1(3)4/h1-5,7H;
InChIKey
VENBJVSTINLYEU-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
6
H-bond acceptors
1
H-bond donors
1
Molar refractivity
37.18
TPSA
20.23
LogP / Solubility
WLOGP
2.27
MLOGP
1.99
XLogP3
2.27
Consensus LogP
2.18
Log S (ESOL)
-2.68
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.53
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.6
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.09
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
Customers Also Viewed
-
-
(E,E)FARNESOIC ACID, 95+% DRY ICE ITEM
- CAS RN: 462-11-3
- Product Code: starshine_CAS462-11-3
-
-
-
-
