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CAS 289472-80-6 (S)-N-(1-AMino-1-oxo-3-phenylpropan-2-yl)pyrazine-2-carboxaMide molecular structure lightbox
CAS RN: 289472-80-6

(S)-N-(1-AMino-1-oxo-3-phenylpropan-2-yl)pyrazine-2-carboxaMide

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250121 50mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS289472-80-6
  • Purity/Analytical Methods: >99.0%
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289472-80-6 / N-(1-amino-1-oxo-3-phenylpropan-2-yl)pyrazine-2-carboxamide

Standard CAS: 289472-80-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
289472-80-6
Multi CAS
Yes
Molecular Formula
C14H14N4O2
Molecular Weight
270.290000
Exact Mass
270.111676
InChI
InChI=1S/C14H14N4O2/c15-13(19)11(8-10-4-2-1-3-5-10)18-14(20)12-9-16-6-7-17-12/h1-7,9,11H,8H2,(H2,15,19)(H,18,20)
InChIKey
KTQJEBWLYWKXRA-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
12
Fraction Csp3
0.14
Rotatable bonds
5
H-bond acceptors
4
H-bond donors
2
Molar refractivity
72.63
TPSA
97.97

LogP / Solubility

WLOGP
0.3
MLOGP
0.28
XLogP3
0.3
Consensus LogP
0.29
Log S (ESOL)
-1.82
Class (ESOL)
Soluble
Log S (Ali)
-2
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.27
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.15

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2

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