![CAS 937378-18-2 Dicyclohexyl(9-benzylfluoren-9-yl)phosphoniumtetrafluoroborate,min.97%[cataCXiumFBn] molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/937378-18-2.gif)
CAS RN: 937378-18-2
Dicyclohexyl(9-benzylfluoren-9-yl)phosphoniumtetrafluoroborate,min.97%[cataCXiumFBn]
Product Availability
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4 package records2 with current stock3 grade groups
- Product code: starshine_CAS937378-18-2
- Purity/Analytical Methods: >99.0%
937378-18-2 / (9-benzylfluoren-9-yl)-dicyclohexylphosphanium tetrafluoroborate
Basic Information
CAS
937378-18-2
Multi CAS
No
Molecular Formula
BC32F4H38P
Molecular Weight
540.400000
Exact Mass
540.274031
InChI
InChI=1S/C32H37P.BF4/c1-4-14-25(15-5-1)24-32(30-22-12-10-20-28(30)29-21-11-13-23-31(29)32)33(26-16-6-2-7-17-26)27-18-8-3-9-19-27;2-1(3,4)5/h1,4-5,10-15,20-23,26-27H,2-3,6-9,16-19,24H2;/q;-1/p+1
InChIKey
TXCRCYKOFGNXQO-UHFFFAOYSA-O
Computed Properties
Structural Parameters
Heavy atom count
38
Aromatic heavy atom count
18
Fraction Csp3
0.44
Rotatable bonds
5
H-bond acceptors
5
Molar refractivity
155.05
TPSA
0.0000
LogP / Solubility
WLOGP
10.33
MLOGP
9.13
XLogP3
10.33
Consensus LogP
9.93
Log S (ESOL)
-9.72
Class (ESOL)
Insoluble
Log S (Ali)
-11.45
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-12.35
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
1.32
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
5.5
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