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CAS 1421468-70-3 1-(6-fluorobenzo[d]thiazol-2-yl)azetidin-3-ol molecular structure lightbox
CAS RN: 1421468-70-3

1-(6-fluorobenzo[d]thiazol-2-yl)azetidin-3-ol

  • Product code: SSC-052884
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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: ≥95%
  • 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 1421468-70-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

1421468-70-3 / 1-(6-fluoro-1,3-benzothiazol-2-yl)azetidin-3-ol

Standard CAS: 1421468-70-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1421468-70-3
Multi CAS
No
Molecular Formula
C10H9FN2OS
Molecular Weight
224.260000
Exact Mass
224.041962
SMILES
C1C(CN1C2=NC3=C(S2)C=C(C=C3)F)O
InChI
InChI=1S/C10H9FN2OS/c11-6-1-2-8-9(3-6)15-10(12-8)13-4-7(14)5-13/h1-3,7,14H,4-5H2
InChIKey
RXCOUEHVKZTUJF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
9
Fraction Csp3
0.3
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
57.8
TPSA
36.36

LogP / Solubility

WLOGP
1.62
MLOGP
1.43
XLogP3
2.1
Consensus LogP
1.72
Log S (ESOL)
-2.63
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.57
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.58
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.94

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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