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CAS 1196151-70-8 6-broMo-2-chlorothiazolo[5,4-b]pyridine molecular structure lightbox
CAS RN: 1196151-70-8

6-broMo-2-chlorothiazolo[5,4-b]pyridine

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  • Product code: starshine_CAS1196151-70-8
  • Purity/Analytical Methods: >99.0%
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1196151-70-8 / 6-bromo-2-chloro-[1,3]thiazolo[5,4-b]pyridine

6-BROMO-2-CHLORO-[1,3]THIAZOLO[5,4-B]PYRIDINE | 6-bromo-2-chloro-(1,3)thiazolo(5,4-b)pyridine | RefChem:540692

Standard CAS: 1196151-70-8 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1196151-70-8
Multi CAS
No
Molecular Formula
C6H2BrClN2S
Molecular Weight
249.520000
Exact Mass
247.881060
SMILES
C1=C(C=NC2=C1N=C(S2)Cl)Br
InChI
InChI=1S/C6H2BrClN2S/c7-3-1-4-5(9-2-3)11-6(8)10-4/h1-2H
InChIKey
BMHFKZSCFLPSPX-UHFFFAOYSA-N
Synonyms
6-BROMO-2-CHLORO-[1,3]THIAZOLO[5,4-B]PYRIDINE 6-bromo-2-chloro-(1,3)thiazolo(5,4-b)pyridine RefChem:540692 834-448-0 6-Bromo-2-chlorothiazolo[5,4-b]pyridine

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
3.3
Consensus LogP
3.05
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
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] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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