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CAS 744248-54-2 4-((((4-fluorophenyl)sulfonyl)amino)methyl)cyclohexanecarboxylic acid molecular structure lightbox
CAS RN: 744248-54-2

4-((((4-fluorophenyl)sulfonyl)amino)methyl)cyclohexanecarboxylic acid

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251024 5mg / 10mg / 25mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS744248-54-2
  • Purity/Analytical Methods: >99.0%
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744248-54-2 / 4-[[(4-fluorophenyl)sulfonylamino]methyl]cyclohexane-1-carboxylic acid

Standard CAS: 744248-54-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
744248-54-2
Multi CAS
No
Molecular Formula
C14FH18NO4S
Molecular Weight
315.360000
Exact Mass
315.094057
InChI
InChI=1S/C14H18FNO4S/c15-12-5-7-13(8-6-12)21(19,20)16-9-10-1-3-11(4-2-10)14(17)18/h5-8,10-11,16H,1-4,9H2,(H,17,18)
InChIKey
AISZJTPLQRGKDX-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
21
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
5
H-bond acceptors
3
H-bond donors
2
Molar refractivity
74.67
TPSA
83.47

LogP / Solubility

WLOGP
2
MLOGP
1.77
XLogP3
2
Consensus LogP
1.92
Log S (ESOL)
-2.93
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.59
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.97
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.23

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2.5

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