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CAS 805319-85-1 2-BROMO-5-CHLORO-8-METHYL-8H-IMIDAZO[4,5-D]THIAZOLO[5,4-B]PYRIDINE molecular structure lightbox
CAS RN: 805319-85-1

2-BROMO-5-CHLORO-8-METHYL-8H-IMIDAZO[4,5-D]THIAZOLO[5,4-B]PYRIDINE

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250904 25mg / 50mg / 100mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS805319-85-1
  • Purity/Analytical Methods: >99.0%
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805319-85-1 / 4-bromo-8-chloro-12-methyl-5-thia-3,7,10,12-tetrazatricyclo[7.3.0.02,6]dodeca-1,3,6,8,10-pentaene

Standard CAS: 805319-85-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
805319-85-1
Multi CAS
No
Molecular Formula
C8H4BRCLN4S
Molecular Weight
303.570000
Exact Mass
301.902860
InChI
InChI=1S/C8H4BrClN4S/c1-14-2-11-3-5(14)4-7(13-6(3)10)15-8(9)12-4/h2H,1H3
InChIKey
HVMRQRTYMJLWFI-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
12
Fraction Csp3
0.12
H-bond acceptors
5
Molar refractivity
64.4
TPSA
43.6

LogP / Solubility

WLOGP
2.99
MLOGP
2.65
XLogP3
3.1
Consensus LogP
2.91
Log S (ESOL)
-4.2
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.21
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.12
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.45

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5

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