[email protected]
CAS 128544-05-8 (S)-(+)-1,1′-Binaphthyl-2,2′-diyl Bis(trifluoromethanesulfonate) molecular structure lightbox
CAS RN: 128544-05-8

(S)-(+)-1,1′-Binaphthyl-2,2′-diyl Bis(trifluoromethanesulfonate)

Product Availability

Choose a grade to view its available package options.

8 package records7 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260524 1g In stock Inquiry
Batchno.20260308 25g In stock Inquiry
Batchno.20250625 5g In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260211 100g In stock Shenzhen Inquiry
Batchno.20250115 1g In stock Shanghai, Shenzhen, Wuhan Inquiry
Batchno.20250807 1g / 5g / 25g / 100g Confirm by inquiry Shanghai Inquiry
Batchno.20251127 25g Out of stock Inquiry
Batchno.20250708 5g In stock Shanghai, Shenzhen, Tianjin Inquiry
  • Product code: ICTB2231
  • Purity/Analytical Methods: >93.0%(HPLC)
GET A QUOTE

128544-05-8 / [1-[2-(trifluoromethylsulfonyloxy)naphthalen-1-yl]naphthalen-2-yl] trifluoromethanesulfonate

Standard CAS: 128544-05-8 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
128544-05-8
Multi CAS
No
Molecular Formula
C22H12F6O6S2
Molecular Weight
550.500000
Exact Mass
549.997949
SMILES
C1=CC=C2C(=C1)C=CC(=C2C3=C(C=CC4=CC=CC=C43)OS(=O)(=O)C(F)(F)F)OS(=O)(=O)C(F)(F)F
InChI
InChI=1S/C22H12F6O6S2/c23-21(24,25)35(29,30)33-17-11-9-13-5-1-3-7-15(13)19(17)20-16-8-4-2-6-14(16)10-12-18(20)34-36(31,32)22(26,27)28/h1-12H
InChIKey
OYJLCOSEYYZULE-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
36
Aromatic heavy atom count
20
Fraction Csp3
0.09
Rotatable bonds
5
H-bond acceptors
6
Molar refractivity
118.1
TPSA
86.74

LogP / Solubility

WLOGP
6.12
MLOGP
5.42
XLogP3
7.6
Consensus LogP
6.38
Log S (ESOL)
-7.19
Class (ESOL)
Insoluble
Log S (Ali)
-8.49
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.91
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.73

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
4.5

Safety & Transport

Pictogram(s)
Corrosive
Signal
Danger
GHS Hazard Statements
H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
Precautionary Statement Codes
P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P405, and P501

Customers Also Viewed

Get In Touch

Contact Us