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CAS 354760-24-0 4-METHOXY-2-(TRIFLUOROMETHYL)BENZOTHIAZOLE molecular structure lightbox
CAS RN: 354760-24-0

4-METHOXY-2-(TRIFLUOROMETHYL)BENZOTHIAZOLE

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260215 1g Out of stock 15 business days Inquiry
  • Product code: starshine_CAS354760-24-0
  • Purity/Analytical Methods: >99.0%
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354760-24-0 / 4-methoxy-2-(trifluoromethyl)-1,3-benzothiazole

Standard CAS: 354760-24-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
354760-24-0
Multi CAS
No
Molecular Formula
C9F3H6NOS
Molecular Weight
233.210000
Exact Mass
233.012219
InChI
InChI=1S/C9H6F3NOS/c1-14-5-3-2-4-6-7(5)13-8(15-6)9(10,11)12/h2-4H,1H3
InChIKey
PJAAHHGTTQCZOC-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
9
Fraction Csp3
0.22
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
51.17
TPSA
22.12

LogP / Solubility

WLOGP
3.32
MLOGP
2.93
XLogP3
3.3
Consensus LogP
3.18
Log S (ESOL)
-3.76
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.87
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.05
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.78

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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