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CAS 77168-44-6 4-(2-Methyl-Thiazol-4-Yl)-Pyridine Hydrobromate molecular structure lightbox
CAS RN: 77168-44-6

4-(2-Methyl-Thiazol-4-Yl)-Pyridine Hydrobromate

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250213 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS77168-44-6
  • Purity/Analytical Methods: >99.0%
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77168-44-6 / 2-methyl-4-pyridin-4-yl-1,3-thiazole;hydrobromide

Standard CAS: 77168-44-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
77168-44-6
Multi CAS
Yes
Molecular Formula
BC9H9Rn2S
Molecular Weight
257.150000
Exact Mass
255.966980
InChI
InChI=1S/C9H8N2S.BrH/c1-7-11-9(6-12-7)8-2-4-10-5-3-8;/h2-6H,1H3;1H
InChIKey
NWDRJCKTYBHLKP-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
11
Fraction Csp3
0.11
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
60.4
TPSA
25.78

LogP / Solubility

WLOGP
3.09
MLOGP
2.73
XLogP3
3.09
Consensus LogP
2.97
Log S (ESOL)
-3.94
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.9
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.02
Class (SILICOS-IT)
Slightly 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)
-2.09

Drug-likeness / Medicinal Chemistry

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

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