CAS RN: 2641484-61-7

MK-0159

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Batchno.20260318 100mg In stock Shanghai Inquiry
Batchno.20250720 250mg Out of stock Inquiry
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  • Product code: starshine_CAS2641484-61-7
  • Purity/Analytical Methods: >99.0%
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2641484-61-7 / N-[4-(2-methoxyethoxy)cyclohexyl]-6-(1,3-thiazol-5-yl)-1H-pyrrolo[2,3-b]pyridine-4-carboxamide

Standard CAS: 2641484-61-7 Multi CAS: No

Basic Information

CAS
2641484-61-7
Multi CAS
No
Molecular Formula
C20H24N4O3S
Molecular Weight
400.500000
Exact Mass
400.156912
SMILES
COCCOC1CCC(CC1)NC(=O)C2=CC(=NC3=C2C=CN3)C4=CN=CS4
InChI
InChI=1S/C20H24N4O3S/c1-26-8-9-27-14-4-2-13(3-5-14)23-20(25)16-10-17(18-11-21-12-28-18)24-19-15(16)6-7-22-19/h6-7,10-14H,2-5,8-9H2,1H3,(H,22,24)(H,23,25)
InChIKey
JUVJFMVGYBBDKN-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
28
Aromatic heavy atom count
14
Fraction Csp3
0.45
Rotatable bonds
7
H-bond acceptors
6
H-bond donors
2
Molar refractivity
108.54
TPSA
89.13

LogP / Solubility

WLOGP
3.39
MLOGP
3.01
XLogP3
2.4
Consensus LogP
2.93
Log S (ESOL)
-4.37
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.29
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.92
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.76

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3

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