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CAS 13925-05-8 2-Methyl-5-(1-methylethyl)pyrazine molecular structure lightbox
CAS RN: 13925-05-8

2-Methyl-5-(1-methylethyl)pyrazine

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7 package records3 with current stock4 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250419 100mg In stock Inquiry
Batchno.20250223 250mg In stock Inquiry
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Batchno.20250708 100mg In stock Shanghai, Hebei Inquiry
Batchno.20260215 250mg Out of stock 8-10 business days Inquiry
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Batchno.20260606 100mg Out of stock 8-10 business days Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250820 100mg / 250mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS13925-05-8
  • Purity/Analytical Methods: >99.0%
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13925-05-8 / 2-methyl-5-propan-2-ylpyrazine

Standard CAS: 13925-05-8 Multi CAS: No
Basic Information Physical Properties Computed Properties

Basic Information

CAS
13925-05-8
Multi CAS
No
Molecular Formula
C8H12N2
Molecular Weight
136.190000
Exact Mass
136.100048
SMILES
CC1=CN=C(C=N1)C(C)C
InChI
InChI=1S/C8H12N2/c1-6(2)8-5-9-7(3)4-10-8/h4-6H,1-3H3
InChIKey
PGTQKVQDZHXLOP-UHFFFAOYSA-N

Physical Properties

Boiling Point
190.00 °C. @ 760.00 mm Hg
Density
0.977-0.984
Physical Description
colourless to slightly yellow liquid with a roasted, coffee, nutty, earthy odour
State
Liquid

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
40.86
TPSA
25.78

LogP / Solubility

WLOGP
1.91
MLOGP
1.67
XLogP3
1.3
Consensus LogP
1.63
Log S (ESOL)
-2.26
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.05
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.25
Class (SILICOS-IT)
Moderately 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)
-2.2

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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