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CAS 340267-36-9 3-(4-METHYLSULPHONYLPHENYL)-4-PHENYL-5-TRIFLUOROMETHYLISOXAZOLE molecular structure lightbox
CAS RN: 340267-36-9

3-(4-METHYLSULPHONYLPHENYL)-4-PHENYL-5-TRIFLUOROMETHYLISOXAZOLE

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260506 5mg / 25mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS340267-36-9
  • Purity/Analytical Methods: >99.0%
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340267-36-9 / 3-(4-methylsulfonylphenyl)-4-phenyl-5-(trifluoromethyl)-1,2-oxazole

Standard CAS: 340267-36-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
340267-36-9
Multi CAS
No
Molecular Formula
C17F3H12NO3S
Molecular Weight
367.300000
Exact Mass
367.048999
InChI
InChI=1S/C17H12F3NO3S/c1-25(22,23)13-9-7-12(8-10-13)15-14(11-5-3-2-4-6-11)16(24-21-15)17(18,19)20/h2-10H,1H3
InChIKey
KKBWWVXRKULXHF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
25
Aromatic heavy atom count
17
Fraction Csp3
0.12
Rotatable bonds
3
H-bond acceptors
4
Molar refractivity
85.49
TPSA
60.17

LogP / Solubility

WLOGP
4.43
MLOGP
3.92
XLogP3
3.8
Consensus LogP
4.05
Log S (ESOL)
-5.21
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.77
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.09
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.81

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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