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CAS 365413-31-6 tert-Butyl 4-[4-(ethoxycarbonyl)-1,3-thiazol-2-yl]tetrahydro-1(2H)-pyridinecarboxylate molecular structure lightbox
CAS RN: 365413-31-6

tert-Butyl 4-[4-(ethoxycarbonyl)-1,3-thiazol-2-yl]tetrahydro-1(2H)-pyridinecarboxylate

  • Product code: SSC-143728
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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 365413-31-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

365413-31-6 / ethyl 2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-1,3-thiazole-4-carboxylate

Standard CAS: 365413-31-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
365413-31-6
Multi CAS
Yes
Molecular Formula
C16H24N2O4S
Molecular Weight
340.400000
Exact Mass
340.145678
InChI
InChI=1S/C16H24N2O4S/c1-5-21-14(19)12-10-23-13(17-12)11-6-8-18(9-7-11)15(20)22-16(2,3)4/h10-11H,5-9H2,1-4H3
InChIKey
LBRUPXMVELEXIV-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
23
Aromatic heavy atom count
5
Fraction Csp3
0.69
Rotatable bonds
3
H-bond acceptors
6
Molar refractivity
87.85
TPSA
68.73

LogP / Solubility

WLOGP
3.43
MLOGP
3.04
XLogP3
3
Consensus LogP
3.16
Log S (ESOL)
-4.08
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.83
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.08
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.36

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2.5

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