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CAS 1272412-63-1 thiazol-2-yl-oxetan-3-ol molecular structure lightbox
CAS RN: 1272412-63-1

thiazol-2-yl-oxetan-3-ol

  • Product code: SSC-034723
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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 1272412-63-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

1272412-63-1 / 3-(1,3-thiazol-2-yl)oxetan-3-ol

Standard CAS: 1272412-63-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1272412-63-1
Multi CAS
No
Molecular Formula
C6H7NO2S
Molecular Weight
157.190000
Exact Mass
157.019750
SMILES
C1C(CO1)(C2=NC=CS2)O
InChI
InChI=1S/C6H7NO2S/c8-6(3-9-4-6)5-7-1-2-10-5/h1-2,8H,3-4H2
InChIKey
XHKXULROAWMQOJ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
5
Fraction Csp3
0.5
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
36.83
TPSA
42.35

LogP / Solubility

WLOGP
0.36
MLOGP
0.31
XLogP3
-0.4
Consensus LogP
0.09
Log S (ESOL)
-1.35
Class (ESOL)
Soluble
Log S (Ali)
-1.11
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.1
Class (SILICOS-IT)
Soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.42

Drug-likeness / Medicinal Chemistry

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

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