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CAS 5521-59-5 N-(5-Methylpyrazin-2-yl)acetamide molecular structure lightbox
CAS RN: 5521-59-5

N-(5-Methylpyrazin-2-yl)acetamide

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260206 1g / 5g / 10g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS5521-59-5
  • Purity/Analytical Methods: >99.0%
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5521-59-5 / N-(5-methylpyrazin-2-yl)acetamide

Standard CAS: 5521-59-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
5521-59-5
Multi CAS
No
Molecular Formula
C7H9N3O
Molecular Weight
151.170000
Exact Mass
151.074562
InChI
InChI=1S/C7H9N3O/c1-5-3-9-7(4-8-5)10-6(2)11/h3-4H,1-2H3,(H,9,10,11)
InChIKey
USFVXCTXPRQVQM-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.29
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
41.07
TPSA
54.88

LogP / Solubility

WLOGP
0.74
MLOGP
0.65
XLogP3
-0.3
Consensus LogP
0.36
Log S (ESOL)
-1.58
Class (ESOL)
Soluble
Log S (Ali)
-1.34
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.38
Class (SILICOS-IT)
Soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.11

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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