CAS RN: 37234-97-2
COPPER(I) TRIFLUOROMETHANESULFONATE BENZENE COMPLEX (2:1)
Product Availability
Choose a grade to view its available package options.
7 package records6 with current stock3 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250604 | 1g / 5g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS37234-97-2
- Purity/Analytical Methods: >99.0%
37234-97-2 / bis(copper(1+));cyclohex-1-en-3,5-diyne;bis(trifluoromethanesulfonate)
Basic Information
CAS
37234-97-2
Multi CAS
Yes
Molecular Formula
C9F6H2O6S2U2
Molecular Weight
499.300000
Exact Mass
497.778893
InChI
InChI=1S/CHF3O3S.Cu/c2-1(3,4)8(5,6)7;/h(H,5,6,7);/q;+1/p-1
InChIKey
YNYHGRUPNQLZHB-UHFFFAOYSA-M
Computed Properties
Structural Parameters
Heavy atom count
24
Aromatic heavy atom count
6
Fraction Csp3
0.25
H-bond acceptors
6
Molar refractivity
53.29
TPSA
114.4
LogP / Solubility
WLOGP
0.99
MLOGP
0.9
XLogP3
0.99
Consensus LogP
0.96
Log S (ESOL)
-3.74
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.37
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-3.72
Class (SILICOS-IT)
Poorly soluble
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
No
Log Kp (skin permeation)
-5.07
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
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