CAS RN: 133152-67-7
SulfoniuM, (4-hydroxyphenyl)Methyl(1-naphthalenylMethyl)-, (OC-6-11)-hexafluoroantiMonate(1-) (1:1)
Product Availability
Choose a grade to view its available package options.
4 package records3 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250108 | 100mg | In stock | Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu | Inquiry |
| Batchno.20250711 | 1g | In stock | Shenzhen, Tianjin, Wuhan, Chengdu | Inquiry |
| Batchno.20260330 | 250mg | In stock | Shanghai, Shenzhen, Tianjin, Wuhan | Inquiry |
| Batchno.20260213 | 5g | Out of stock | Inquiry |
- Product code: starshine_CAS133152-67-7
- Purity/Analytical Methods: >99.0%
133152-67-7 / hexafluoroantimony(1-);(4-hydroxyphenyl)-methyl-(naphthalen-1-ylmethyl)sulfanium
Basic Information
CAS
133152-67-7
Multi CAS
No
Molecular Formula
C18H17F6OSSb
Molecular Weight
517.100000
Exact Mass
515.994240
SMILES
C[S+](CC1=CC=CC2=CC=CC=C21)C3=CC=C(C=C3)O.F[Sb-](F)(F)(F)(F)F
InChI
InChI=1S/C18H16OS.6FH.Sb/c1-20(17-11-9-16(19)10-12-17)13-15-7-4-6-14-5-2-3-8-18(14)15;;;;;;;/h2-12H,13H2,1H3;6*1H;/q;;;;;;;+5/p-5
InChIKey
PXXVSCQTLPRULB-UHFFFAOYSA-I
Computed Properties
Structural Parameters
Heavy atom count
27
Aromatic heavy atom count
16
Fraction Csp3
0.11
Rotatable bonds
3
H-bond acceptors
1
H-bond donors
1
Molar refractivity
99.72
TPSA
20.23
LogP / Solubility
WLOGP
6.49
MLOGP
5.75
XLogP3
6.49
Consensus LogP
6.24
Log S (ESOL)
-7.38
Class (ESOL)
Insoluble
Log S (Ali)
-8.49
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.77
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)
-1.26
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
3
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