CAS RN: 7375-45-3

BENZYL-PYRAZIN-2-YL-AMINE

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Batchno.20250513 5mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS7375-45-3
  • Purity/Analytical Methods: >99.0%
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7375-45-3 / N-benzylpyrazin-2-amine

Standard CAS: 7375-45-3 Multi CAS: Yes

Basic Information

CAS
7375-45-3
Multi CAS
Yes
Molecular Formula
C11H11N3
Molecular Weight
185.220000
Exact Mass
185.095297
InChI
InChI=1S/C11H11N3/c1-2-4-10(5-3-1)8-14-11-9-12-6-7-13-11/h1-7,9H,8H2,(H,13,14)
InChIKey
ITELDXFJDCTYAQ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
12
Fraction Csp3
0.09
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
55.8
TPSA
37.81

LogP / Solubility

WLOGP
2.09
MLOGP
1.84
XLogP3
1.6
Consensus LogP
1.84
Log S (ESOL)
-2.74
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.59
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.96
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.37

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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