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CAS 293753-05-6 SR 3335 molecular structure lightbox
CAS RN: 293753-05-6

SR 3335

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9 package records6 with current stock2 grade groups
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Batchno.20250705 1ml In stock Inquiry
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  • Product code: ICTR0214
  • Purity/Analytical Methods: >95.0%(HPLC)
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293753-05-6 / N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]thiophene-2-sulfonamide

Standard CAS: 293753-05-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
293753-05-6
Multi CAS
No
Molecular Formula
C13F6H9NO3S2
Molecular Weight
405.300000
Exact Mass
404.992804
InChI
InChI=1S/C13H9F6NO3S2/c14-12(15,16)11(21,13(17,18)19)8-3-5-9(6-4-8)20-25(22,23)10-2-1-7-24-10/h1-7,20-21H
InChIKey
LZWUNZRMANFRAO-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
25
Aromatic heavy atom count
11
Fraction Csp3
0.23
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
2
Molar refractivity
77.58
TPSA
66.4

LogP / Solubility

WLOGP
3.86
MLOGP
3.42
XLogP3
3.7
Consensus LogP
3.66
Log S (ESOL)
-4.85
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.67
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.98
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.45

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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