CAS RN: 38184-64-4

Fluorosulfuric acid, (1-methylethylidene)di-4,1-phenylene ester

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  • Product code: starshine_CAS38184-64-4
  • Purity/Analytical Methods: >99.0%
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38184-64-4 / 1-fluorosulfonyloxy-4-[2-(4-fluorosulfonyloxyphenyl)propan-2-yl]benzene

Standard CAS: 38184-64-4 Multi CAS: No

Basic Information

CAS
38184-64-4
Multi CAS
No
Molecular Formula
C15F2H14O6S2
Molecular Weight
392.400000
Exact Mass
392.019987
InChI
InChI=1S/C15H14F2O6S2/c1-15(2,11-3-7-13(8-4-11)22-24(16,18)19)12-5-9-14(10-6-12)23-25(17,20)21/h3-10H,1-2H3
InChIKey
CGBNQCIQYFEUNP-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
25
Aromatic heavy atom count
12
Fraction Csp3
0.2
Rotatable bonds
6
H-bond acceptors
6
Molar refractivity
86.32
TPSA
86.74

LogP / Solubility

WLOGP
3.2
MLOGP
2.84
XLogP3
4.9
Consensus LogP
3.65
Log S (ESOL)
-4.25
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.09
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.59
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.84

Drug-likeness / Medicinal Chemistry

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

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