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CAS 38789-76-3 5-METHOXYPYRAZINE-2-CARBONITRILE molecular structure lightbox
CAS RN: 38789-76-3

5-METHOXYPYRAZINE-2-CARBONITRILE

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251102 10mg / 50mg / 100mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS38789-76-3
  • Purity/Analytical Methods: >99.0%
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38789-76-3 / 5-methoxypyrazine-2-carbonitrile

Standard CAS: 38789-76-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
38789-76-3
Multi CAS
No
Molecular Formula
C6H5N3O
Molecular Weight
135.120000
Exact Mass
135.043262
InChI
InChI=1S/C6H5N3O/c1-10-6-4-8-5(2-7)3-9-6/h3-4H,1H3
InChIKey
RCSORRYLRVDCJD-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.17
Rotatable bonds
1
H-bond acceptors
4
Molar refractivity
33.3
TPSA
58.8

LogP / Solubility

WLOGP
0.36
MLOGP
0.31
XLogP3
0.6
Consensus LogP
0.42
Log S (ESOL)
-1.28
Class (ESOL)
Soluble
Log S (Ali)
-0.93
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.95
Class (SILICOS-IT)
Very 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)
-3.29

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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