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, 0.1g, 0.25g, 5g, 10g
- Available purity: >97%
- Inventory rows with stock: 3
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | >97% | 2 In Stock | Beijing | Inquiry |
| 0.1g | >97% | 1 In Stock | Beijing | Inquiry |
| 0.25g | >97% | 1 In Stock | Beijing | Inquiry |
| 5g | >97% | 0 Out of Stock | Hong Kong | Inquiry |
| 10g | >97% | 0 Out of Stock | Hong Kong | Inquiry |
947662-64-8 / 1-(1,3-thiazol-2-yl)ethanamine;hydrochloride
Basic Information
CAS
947662-64-8
Multi CAS
No
Molecular Formula
C5H9CLN2S
Molecular Weight
164.660000
Exact Mass
164.017497
InChI
InChI=1S/C5H8N2S.ClH/c1-4(6)5-7-2-3-8-5;/h2-4H,6H2,1H3;1H
InChIKey
KLQZMXLICFMMGL-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
9
Aromatic heavy atom count
5
Fraction Csp3
0.4
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
41.96
TPSA
38.91
LogP / Solubility
WLOGP
1.58
MLOGP
1.39
XLogP3
1.58
Consensus LogP
1.52
Log S (ESOL)
-2.2
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.05
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.17
Class (SILICOS-IT)
Moderately 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)
-2.6
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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