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CAS 108724-09-0 7-Bromothiazolo[4,5-c]pyridine molecular structure lightbox
CAS RN: 108724-09-0

7-Bromothiazolo[4,5-c]pyridine

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251102 50mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS108724-09-0
  • Purity/Analytical Methods: >99.0%
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108724-09-0 / 7-bromo-[1,3]thiazolo[4,5-c]pyridine

7-Bromothiazolo[4,5-c]pyridine | Thiazolo[4,5-c]pyridine, 7-bromo- | MFCD28346169

Standard CAS: 108724-09-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
108724-09-0
Multi CAS
No
Molecular Formula
C6H3BrN2S
Molecular Weight
215.070000
Exact Mass
213.920030
SMILES
C1=C2C(=C(C=N1)Br)SC=N2
InChI
InChI=1S/C6H3BrN2S/c7-4-1-8-2-5-6(4)10-3-9-5/h1-3H
InChIKey
KVIWWNXSTHMZKC-UHFFFAOYSA-N
Synonyms
7-Bromothiazolo[4,5-c]pyridine Thiazolo[4,5-c]pyridine, 7-bromo- MFCD28346169 7-bromo-[1,3]thiazolo[4,5-c]pyridine SCHEMBL18113023

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
9
H-bond acceptors
3
Molar refractivity
45.12
TPSA
25.78

LogP / Solubility

WLOGP
2.45
MLOGP
2.16
XLogP3
2
Consensus LogP
2.2
Log S (ESOL)
-3.39
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.1
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.09
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)
-2.29

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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