[email protected]
CAS 613676-07-6 2,5-Bis(trimethylsilyl)-1,4-phenylene Bis(trifluoromethanesulfonate) molecular structure lightbox
CAS RN: 613676-07-6

2,5-Bis(trimethylsilyl)-1,4-phenylene Bis(trifluoromethanesulfonate)

Product Availability

Choose a grade to view its available package options.

2 package records2 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250912 200mg In stock Shanghai, Shandong Inquiry
Batchno.20260502 50mg In stock Shanghai Inquiry
  • Product code: ICTB5559
  • Purity/Analytical Methods: >98.0%(GC)
GET A QUOTE

613676-07-6 / [4-(trifluoromethylsulfonyloxy)-2,5-bis(trimethylsilyl)phenyl] trifluoromethanesulfonate

Standard CAS: 613676-07-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
613676-07-6
Multi CAS
No
Molecular Formula
C14F6H20O6S2Si2
Molecular Weight
518.600000
Exact Mass
518.014403
InChI
InChI=1S/C14H20F6O6S2Si2/c1-29(2,3)11-7-10(26-28(23,24)14(18,19)20)12(30(4,5)6)8-9(11)25-27(21,22)13(15,16)17/h7-8H,1-6H3
InChIKey
BZSLFYMKJPECFT-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
30
Aromatic heavy atom count
6
Fraction Csp3
0.57
Rotatable bonds
6
H-bond acceptors
6
Molar refractivity
103.61
TPSA
86.74

LogP / Solubility

WLOGP
3.23
MLOGP
2.88
XLogP3
3.23
Consensus LogP
3.11
Log S (ESOL)
-4.84
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.15
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.43
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.59

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

Customers Also Viewed

Get In Touch

Contact Us