CAS RN: 1187830-55-2
2-(2-(4-Chlorophenyl)thiazol-4-yl)ethanaMine HCl
- Product code: SSC-018748
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
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 |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Shenzhen | Inquiry |
1187830-55-2 / 2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]ethanamine;hydrochloride
2-(2-(4-Chlorophenyl)thiazol-4-yl)ethanamine hydrochloride | 2-(2-(4-Chlorophenyl)thiazol-4-yl)ethanamine HCl | MFCD12963845
Basic Information
CAS
1187830-55-2
Multi CAS
No
Molecular Formula
C11H12Cl2N2S
Molecular Weight
275.200000
Exact Mass
274.009825
SMILES
C1=CC(=CC=C1C2=NC(=CS2)CCN)Cl.Cl
InChI
InChI=1S/C11H11ClN2S.ClH/c12-9-3-1-8(2-4-9)11-14-10(5-6-13)7-15-11;/h1-4,7H,5-6,13H2;1H
InChIKey
GTOIEICHKUIVPM-UHFFFAOYSA-N
Synonyms
2-(2-(4-Chlorophenyl)thiazol-4-yl)ethanamine hydrochloride
2-(2-(4-Chlorophenyl)thiazol-4-yl)ethanamine HCl
MFCD12963845
2-(2-(4-chlorophenyl)thiazol-4-yl)ethan-1-amine hydrochloride
2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]ethan-1-amine hydrochloride
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
11
Fraction Csp3
0.18
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
72.57
TPSA
38.91
LogP / Solubility
WLOGP
3.39
MLOGP
2.99
XLogP3
3.39
Consensus LogP
3.26
Log S (ESOL)
-3.99
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.26
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.62
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.99
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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