CAS RN: 915919-92-5

2-p-tolylthiazole-5-carbaldehyde

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250519 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS915919-92-5
  • Purity/Analytical Methods: >99.0%
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915919-92-5 / 2-(2-methylphenyl)-1,3-thiazole-5-carbaldehyde

Standard CAS: 915919-92-5 Multi CAS: Yes

Basic Information

CAS
915919-92-5
Multi CAS
Yes
Molecular Formula
C11H9NOS
Molecular Weight
203.260000
Exact Mass
203.040485
InChI
InChI=1S/C11H9NOS/c1-8-4-2-3-5-10(8)11-12-6-9(7-13)14-11/h2-7H,1H3
InChIKey
FKAXXEIMWMHQQP-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
11
Fraction Csp3
0.09
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
57.67
TPSA
29.96

LogP / Solubility

WLOGP
2.93
MLOGP
2.58
XLogP3
2.8
Consensus LogP
2.77
Log S (ESOL)
-3.4
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.34
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.65
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)
-1.88

Drug-likeness / Medicinal Chemistry

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

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