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CAS 1420936-70-4 2-(Piperidin-4-ylmethoxy)-benzothiazole molecular structure lightbox
CAS RN: 1420936-70-4

2-(Piperidin-4-ylmethoxy)-benzothiazole

  • Product code: SSC-052794
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 1g, 5g, 0.1g, 0.25g
  • Available purity: ≥95%
  • Inventory rows with stock: 4
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1420936-70-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 5 In Stock Beijing Inquiry
5g ≥95% 5 In Stock Shanghai Inquiry
0.1g ≥95% 2 In Stock Shenzhen Inquiry
0.25g ≥95% 2 In Stock Shenzhen Inquiry

1420936-70-4 / 2-(piperidin-4-ylmethoxy)-1,3-benzothiazole

Standard CAS: 1420936-70-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1420936-70-4
Multi CAS
No
Molecular Formula
C13H16N2OS
Molecular Weight
248.350000
Exact Mass
248.098334
SMILES
C1CNCCC1COC2=NC3=CC=CC=C3S2
InChI
InChI=1S/C13H16N2OS/c1-2-4-12-11(3-1)15-13(17-12)16-9-10-5-7-14-8-6-10/h1-4,10,14H,5-9H2
InChIKey
UYUGQBLNFLXVGD-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
9
Fraction Csp3
0.46
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
1
Molar refractivity
70.71
TPSA
34.15

LogP / Solubility

WLOGP
2.67
MLOGP
2.36
XLogP3
3
Consensus LogP
2.68
Log S (ESOL)
-3.26
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.53
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.85
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.34

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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