CAS RN: 442632-72-6
CK-636
Product Availability
Choose a grade to view its available package options.
5 package records5 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250625 | 50mg / 250mg / 1g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS442632-72-6
- Purity/Analytical Methods: >99.0%
442632-72-6 / N-[2-(2-methyl-1H-indol-3-yl)ethyl]thiophene-2-carboxamide
Basic Information
CAS
442632-72-6
Multi CAS
Yes
Molecular Formula
C16H16N2OS
Molecular Weight
284.400000
Exact Mass
284.098334
InChI
InChI=1S/C16H16N2OS/c1-11-12(13-5-2-3-6-14(13)18-11)8-9-17-16(19)15-7-4-10-20-15/h2-7,10,18H,8-9H2,1H3,(H,17,19)
InChIKey
ACAKNPKRLPMONU-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
14
Fraction Csp3
0.19
Rotatable bonds
4
H-bond acceptors
2
H-bond donors
2
Molar refractivity
83.39
TPSA
44.89
LogP / Solubility
WLOGP
3.51
MLOGP
3.1
XLogP3
3.7
Consensus LogP
3.44
Log S (ESOL)
-4.07
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.43
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.9
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.96
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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