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CAS 23420-88-4 2-CHLORO-5-(TRIFLUOROMETHYL)-1,3-BENZOTHIAZOLE molecular structure lightbox
CAS RN: 23420-88-4

2-CHLORO-5-(TRIFLUOROMETHYL)-1,3-BENZOTHIAZOLE

  • Product code: SSC-113199
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ＞97%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 23420-88-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Hong Kong Inquiry

23420-88-4 / 2-chloro-5-(trifluoromethyl)-1,3-benzothiazole

Standard CAS: 23420-88-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
23420-88-4
Multi CAS
No
Molecular Formula
C8H3ClF3NS
Molecular Weight
237.630000
Exact Mass
236.962683
SMILES
C1=CC2=C(C=C1C(F)(F)F)N=C(S2)Cl
InChI
InChI=1S/C8H3ClF3NS/c9-7-13-5-3-4(8(10,11)12)1-2-6(5)14-7/h1-3H
InChIKey
KMHYDRGLBQZDAE-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
9
Fraction Csp3
0.12
H-bond acceptors
2
Molar refractivity
49.63
TPSA
12.89

LogP / Solubility

WLOGP
3.97
MLOGP
3.5
XLogP3
4.2
Consensus LogP
3.89
Log S (ESOL)
-4.29
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.37
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.5
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)
-1.35

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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