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CAS 885279-11-8 2-(2-METHOXY-PHENYL)-THIAZOLE-4-CARBALDEHYDE molecular structure lightbox
CAS RN: 885279-11-8

2-(2-METHOXY-PHENYL)-THIAZOLE-4-CARBALDEHYDE

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260608 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS885279-11-8
  • Purity/Analytical Methods: >99.0%
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885279-11-8 / 2-(2-methoxyphenyl)-1,3-thiazole-4-carbaldehyde

Standard CAS: 885279-11-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
885279-11-8
Multi CAS
No
Molecular Formula
C11H9NO2S
Molecular Weight
219.260000
Exact Mass
219.035400
InChI
InChI=1S/C11H9NO2S/c1-14-10-5-3-2-4-9(10)11-12-8(6-13)7-15-11/h2-7H,1H3
InChIKey
ZOSOJISOZSLKEH-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
11
Fraction Csp3
0.09
Rotatable bonds
3
H-bond acceptors
4
Molar refractivity
59.49
TPSA
39.19

LogP / Solubility

WLOGP
2.63
MLOGP
2.32
XLogP3
2.4
Consensus LogP
2.45
Log S (ESOL)
-3.2
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.26
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.63
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)
-2.19

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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