[email protected]
CAS 13925-08-1 2-Methyl-5-vinylpyrazine molecular structure lightbox
CAS RN: 13925-08-1

2-Methyl-5-vinylpyrazine

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250919 1g Out of stock 15 business days Inquiry
  • Product code: starshine_CAS13925-08-1
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

13925-08-1 / 2-ethenyl-5-methylpyrazine

Standard CAS: 13925-08-1 Multi CAS: No
Basic Information Physical Properties Computed Properties

Basic Information

CAS
13925-08-1
Multi CAS
No
Molecular Formula
C7H8N2
Molecular Weight
120.150000
Exact Mass
120.068748
SMILES
CC1=CN=C(C=N1)C=C
InChI
InChI=1S/C7H8N2/c1-3-7-5-8-6(2)4-9-7/h3-5H,1H2,2H3
InChIKey
JASFBLBUHWKFBZ-UHFFFAOYSA-N

Physical Properties

Boiling Point
65.00 to 66.00 °C. @ 12.00 mm Hg
Density
1.011-1.023
Physical Description
Colourless to yellow liquid; Coffee-like aroma
State
Liquid

Computed Properties

Structural Parameters

Heavy atom count
9
Aromatic heavy atom count
6
Fraction Csp3
0.14
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
36.86
TPSA
25.78

LogP / Solubility

WLOGP
1.43
MLOGP
1.25
XLogP3
1
Consensus LogP
1.23
Log S (ESOL)
-1.91
Class (ESOL)
Soluble
Log S (Ali)
-1.58
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.75
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)
-2.44

Drug-likeness / Medicinal Chemistry

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

Customers Also Viewed

Get In Touch

Contact Us