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CAS 1206248-68-1 2-BroMo-7-chlorothiazolo[5,4-c]pyridine molecular structure lightbox
CAS RN: 1206248-68-1

2-BroMo-7-chlorothiazolo[5,4-c]pyridine

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251023 25mg / 100mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS1206248-68-1
  • Purity/Analytical Methods: >99.0%
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1206248-68-1 / 2-bromo-7-chloro-[1,3]thiazolo[5,4-c]pyridine

2-Bromo-7-chlorothiazolo[5,4-c]pyridine | 2-bromo-7-chloro-[1,3]thiazolo[5,4-c]pyridine | MFCD14581891

Standard CAS: 1206248-68-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1206248-68-1
Multi CAS
No
Molecular Formula
C6H2BrClN2S
Molecular Weight
249.520000
Exact Mass
247.881060
SMILES
C1=C2C(=C(C=N1)Cl)N=C(S2)Br
InChI
InChI=1S/C6H2BrClN2S/c7-6-10-5-3(8)1-9-2-4(5)11-6/h1-2H
InChIKey
PXIOYTIEFZXIMY-UHFFFAOYSA-N
Synonyms
2-Bromo-7-chlorothiazolo[5,4-c]pyridine 2-bromo-7-chloro-[1,3]thiazolo[5,4-c]pyridine MFCD14581891 2-Bromo-7-chloro-thiazolo[5,4-c]pyridine SCHEMBL28941209

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
Consensus LogP
2.95
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

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