![CAS 1355241-50-7 5-BroMo-2-chloro-thiazolo[5,4-b]pyridine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1355241-50-7.gif)
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: ＞97%
- 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 | ＞97% | 0 Out of Stock | Hong Kong | Inquiry |
1355241-50-7 / 5-bromo-2-chloro-[1,3]thiazolo[5,4-b]pyridine
Basic Information
CAS
1355241-50-7
Multi CAS
No
Molecular Formula
C6H2BrClN2S
Molecular Weight
249.520000
Exact Mass
247.881060
SMILES
C1=CC(=NC2=C1N=C(S2)Cl)Br
InChI
InChI=1S/C6H2BrClN2S/c7-4-2-1-3-5(10-4)11-6(8)9-3/h1-2H
InChIKey
SDZVRGYHXUIPEL-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
9
H-bond acceptors
3
Molar refractivity
50.13
TPSA
25.78
LogP / Solubility
WLOGP
3.11
MLOGP
2.74
XLogP3
3.6
Consensus LogP
3.15
Log S (ESOL)
-3.95
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.85
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.86
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)
-2.04
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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