CAS RN: 318290-98-1
Fluensulfone
Product Availability
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2 package records2 with current stock1 grade group
- Product code: starshine_CAS318290-98-1
- Purity/Analytical Methods: >99.0%
318290-98-1 / 5-chloro-2-(3,4,4-trifluorobut-3-enylsulfonyl)-1,3-thiazole
Basic Information
CAS
318290-98-1
Multi CAS
No
Molecular Formula
C7H5CLF3NO2S2
Molecular Weight
291.700000
Exact Mass
290.940233
InChI
InChI=1S/C7H5ClF3NO2S2/c8-5-3-12-7(15-5)16(13,14)2-1-4(9)6(10)11/h3H,1-2H2
InChIKey
XSNMWAPKHUGZGQ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
5
Fraction Csp3
0.29
Rotatable bonds
4
H-bond acceptors
4
Molar refractivity
54.14
TPSA
47.03
LogP / Solubility
WLOGP
3.04
MLOGP
2.68
XLogP3
2.5
Consensus LogP
2.74
Log S (ESOL)
-3.53
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.15
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.56
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.34
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
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