![CAS 1160791-13-8 2-Amino-6-bromothiazolo[5,4-b]pyridine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1160791-13-8.gif)
CAS RN: 1160791-13-8
2-Amino-6-bromothiazolo[5,4-b]pyridine
Product Availability
Choose a grade to view its available package options.
4 package records3 with current stock2 grade groups
- Product code: SSC-016205
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 | Hong Kong | Inquiry |
1160791-13-8 / 6-bromo-[1,3]thiazolo[5,4-b]pyridin-2-amine
6-bromo-[1,3]thiazolo[5,4-b]pyridin-2-amine | 6-bromo-(1,3)thiazolo(5,4-b)pyridin-2-amine | RefChem:540492
Basic Information
CAS
1160791-13-8
Multi CAS
No
Molecular Formula
C6H4BrN3S
Molecular Weight
230.090000
Exact Mass
228.930930
SMILES
C1=C(C=NC2=C1N=C(S2)N)Br
InChI
InChI=1S/C6H4BrN3S/c7-3-1-4-5(9-2-3)11-6(8)10-4/h1-2H,(H2,8,10)
InChIKey
WZQLBSAXHYDIEQ-UHFFFAOYSA-N
Synonyms
6-bromo-[1,3]thiazolo[5,4-b]pyridin-2-amine
6-bromo-(1,3)thiazolo(5,4-b)pyridin-2-amine
RefChem:540492
986-325-7
2-Amino-6-bromothiazolo[5,4-b]pyridine
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
9
H-bond acceptors
4
H-bond donors
1
Molar refractivity
49.53
TPSA
51.8
LogP / Solubility
WLOGP
2.04
MLOGP
1.8
XLogP3
2
Consensus LogP
1.95
Log S (ESOL)
-3.15
Class (ESOL)
Poorly soluble
Log S (Ali)
-2.92
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.85
Class (SILICOS-IT)
Moderately 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)
-2.68
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
Safety & Transport
Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
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