CAS RN: 448906-42-1
ITE
Product Availability
Choose a grade to view its available package options.
12 package records10 with current stock3 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250909 | 5mg / 10mg / 25mg / 100mg | Confirm by inquiry | Shanghai, Shandong | 5-7 business days | Inquiry |
- Product code: starshine_CAS448906-42-1
- Purity/Analytical Methods: >99.0%
448906-42-1 / methyl 2-(1H-indole-3-carbonyl)-1,3-thiazole-4-carboxylate
Basic Information
CAS
448906-42-1
Multi CAS
No
Molecular Formula
C14H10N2O3S
Molecular Weight
286.310000
Exact Mass
286.041213
InChI
InChI=1S/C14H10N2O3S/c1-19-14(18)11-7-20-13(16-11)12(17)9-6-15-10-5-3-2-4-8(9)10/h2-7,15H,1H3
InChIKey
KDDXOGDIPZSCTM-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
14
Fraction Csp3
0.07
Rotatable bonds
3
H-bond acceptors
5
H-bond donors
1
Molar refractivity
75.18
TPSA
72.05
LogP / Solubility
WLOGP
2.64
MLOGP
2.34
XLogP3
2.9
Consensus LogP
2.63
Log S (ESOL)
-3.6
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.82
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.07
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)
-2.59
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
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