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CAS 1188136-39-1 4-Bromo-2-(trifluoromethyl)benzo[d]thiazole molecular structure lightbox
CAS RN: 1188136-39-1

4-Bromo-2-(trifluoromethyl)benzo[d]thiazole

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251023 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS1188136-39-1
  • Purity/Analytical Methods: >99.0%
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1188136-39-1 / 4-bromo-2-(trifluoromethyl)-1,3-benzothiazole

4-Bromo-2-(trifluoromethyl)benzo[d]thiazole | MFCD11217356 | 4-bromo-2-(trifluoromethyl)-1,3-benzothiazole

Standard CAS: 1188136-39-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1188136-39-1
Multi CAS
No
Molecular Formula
C8H3BrF3NS
Molecular Weight
282.080000
Exact Mass
280.912170
SMILES
C1=CC2=C(C(=C1)Br)N=C(S2)C(F)(F)F
InChI
InChI=1S/C8H3BrF3NS/c9-4-2-1-3-5-6(4)13-7(14-5)8(10,11)12/h1-3H
InChIKey
OFXOANDVUOFDPF-UHFFFAOYSA-N
Synonyms
4-Bromo-2-(trifluoromethyl)benzo[d]thiazole MFCD11217356 4-bromo-2-(trifluoromethyl)-1,3-benzothiazole BS-51691 E84963

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
9
Fraction Csp3
0.12
H-bond acceptors
2
Molar refractivity
52.32
TPSA
12.89

LogP / Solubility

WLOGP
4.08
MLOGP
3.6
XLogP3
4
Consensus LogP
3.89
Log S (ESOL)
-4.63
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.82
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.88
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.55

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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