![CAS 921061-07-6 [1-(2-Phenyl-1,3-thiazol-5-yl)ethyl]amine dihydrochloride molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB52554508.gif)
CAS RN: 921061-07-6
[1-(2-Phenyl-1,3-thiazol-5-yl)ethyl]amine dihydrochloride
- Product code: SSC-205684
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: 5g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 5g | ≥95% | 0 Out of Stock | Shanghai | Inquiry |
921061-07-6 / 1-(2-phenyl-1,3-thiazol-5-yl)ethanamine
Basic Information
CAS
921061-07-6
Multi CAS
Yes
Molecular Formula
C11H12N2S
Molecular Weight
204.290000
Exact Mass
204.072120
InChI
InChI=1S/C11H12N2S/c1-8(12)10-7-13-11(14-10)9-5-3-2-4-6-9/h2-8H,12H2,1H3
InChIKey
HFIJTXCXAHAASJ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
11
Fraction Csp3
0.18
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
60.15
TPSA
38.91
LogP / Solubility
WLOGP
2.83
MLOGP
2.49
XLogP3
1.9
Consensus LogP
2.41
Log S (ESOL)
-3.34
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.28
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.58
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)
-1.96
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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