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CAS 926191-54-0 Benzoic acid, 2-fluoro-5-[[methyl(1-methylethyl)amino]sulfonyl]- molecular structure lightbox
CAS RN: 926191-54-0

Benzoic acid, 2-fluoro-5-[[methyl(1-methylethyl)amino]sulfonyl]-

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250207 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS926191-54-0
  • Purity/Analytical Methods: >99.0%
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926191-54-0 / 2-fluoro-5-[methyl(propan-2-yl)sulfamoyl]benzoic acid

Standard CAS: 926191-54-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
926191-54-0
Multi CAS
No
Molecular Formula
C11FH14NO4S
Molecular Weight
275.300000
Exact Mass
275.062757
InChI
InChI=1S/C11H14FNO4S/c1-7(2)13(3)18(16,17)8-4-5-10(12)9(6-8)11(14)15/h4-7H,1-3H3,(H,14,15)
InChIKey
QMNPHSRUPNIRLX-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
6
Fraction Csp3
0.36
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
1
Molar refractivity
63.44
TPSA
74.68

LogP / Solubility

WLOGP
1.55
MLOGP
1.38
XLogP3
1.5
Consensus LogP
1.48
Log S (ESOL)
-2.51
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.94
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.22
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.3

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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