CAS RN: 32493-82-6
5-Methylpyrazine-2,3-diaMine
Product Availability
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5 package records0 with current stock1 grade group
- Product code: starshine_CAS32493-82-6
- Purity/Analytical Methods: >99.0%
32493-82-6 / 5-methylpyrazine-2,3-diamine
Basic Information
CAS
32493-82-6
Multi CAS
No
Molecular Formula
C5H8N4
Molecular Weight
124.140000
Exact Mass
124.074896
InChI
InChI=1S/C5H8N4/c1-3-2-8-4(6)5(7)9-3/h2H,1H3,(H2,6,8)(H2,7,9)
InChIKey
BVAHUNYSYHYRFT-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
9
Aromatic heavy atom count
6
Fraction Csp3
0.2
H-bond acceptors
4
H-bond donors
2
Molar refractivity
35.59
TPSA
77.82
LogP / Solubility
WLOGP
-0.05
MLOGP
-0.05
XLogP3
-0.5
Consensus LogP
-0.2
Log S (ESOL)
-1.07
Class (ESOL)
Soluble
Log S (Ali)
-0.54
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.42
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)
-3.51
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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