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CAS 942185-02-6 tert-butyl 4-hydroxy-4-(1,3-thiazol-2-yl)piperidine-1-carboxylate molecular structure lightbox
CAS RN: 942185-02-6

tert-butyl 4-hydroxy-4-(1,3-thiazol-2-yl)piperidine-1-carboxylate

  • Product code: SSC-208813
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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 942185-02-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Hong Kong Inquiry

942185-02-6 / tert-butyl 4-hydroxy-4-(1,3-thiazol-2-yl)piperidine-1-carboxylate

Standard CAS: 942185-02-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
942185-02-6
Multi CAS
No
Molecular Formula
C13H20N2O3S
Molecular Weight
284.380000
Exact Mass
284.119464
InChI
InChI=1S/C13H20N2O3S/c1-12(2,3)18-11(16)15-7-4-13(17,5-8-15)10-14-6-9-19-10/h6,9,17H,4-5,7-8H2,1-3H3
InChIKey
PUEICTJQJXTYCT-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
5
Fraction Csp3
0.69
Rotatable bonds
1
H-bond acceptors
5
H-bond donors
1
Molar refractivity
73.05
TPSA
62.66

LogP / Solubility

WLOGP
2.36
MLOGP
2.09
XLogP3
1.3
Consensus LogP
1.92
Log S (ESOL)
-3.22
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.6
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.59
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.78

Drug-likeness / Medicinal Chemistry

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

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