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CAS 676500-67-7 5-(2-Methoxy-4-(((2-(tetrahydro-2H-pyran-4-yl)ethyl)amino)methyl)phenoxy)pyrazine-2-carboxamide molecular structure lightbox
CAS RN: 676500-67-7

5-(2-Methoxy-4-(((2-(tetrahydro-2H-pyran-4-yl)ethyl)amino)methyl)phenoxy)pyrazine-2-carboxamide

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8 package records7 with current stock2 grade groups
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Batchno.20250518 10mg In stock Inquiry
Batchno.20260430 1mg In stock Inquiry
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Batchno.20250322 5mg In stock Inquiry
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  • Product code: starshine_CAS676500-67-7
  • Purity/Analytical Methods: >99.0%
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676500-67-7 / 5-[2-methoxy-4-[[2-(oxan-4-yl)ethylamino]methyl]phenoxy]pyrazine-2-carboxamide

Standard CAS: 676500-67-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
676500-67-7
Multi CAS
No
Molecular Formula
C20H26N4O4
Molecular Weight
386.400000
Exact Mass
386.195405
InChI
InChI=1S/C20H26N4O4/c1-26-18-10-15(11-22-7-4-14-5-8-27-9-6-14)2-3-17(18)28-19-13-23-16(12-24-19)20(21)25/h2-3,10,12-14,22H,4-9,11H2,1H3,(H2,21,25)
InChIKey
ZGCYVRNZWGUXNQ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
28
Aromatic heavy atom count
12
Fraction Csp3
0.45
Rotatable bonds
9
H-bond acceptors
7
H-bond donors
2
Molar refractivity
103.48
TPSA
108.59

LogP / Solubility

WLOGP
2.28
MLOGP
2.03
XLogP3
1.1
Consensus LogP
1.8
Log S (ESOL)
-3.4
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.38
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.15
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
No
Log Kp (skin permeation)
-3.46

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
2.5

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