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CAS 91678-85-2 3-BUTYLPYRAZINAMINE molecular structure lightbox
CAS RN: 91678-85-2

3-BUTYLPYRAZINAMINE

  • Product code: SSC-205052
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: >95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 91678-85-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >95% 0 Out of Stock Shenzhen Inquiry

91678-85-2 / 3-butylpyrazin-2-amine

Standard CAS: 91678-85-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
91678-85-2
Multi CAS
No
Molecular Formula
C8H13N3
Molecular Weight
151.210000
Exact Mass
151.110947
InChI
InChI=1S/C8H13N3/c1-2-3-4-7-8(9)11-6-5-10-7/h5-6H,2-4H2,1H3,(H2,9,11)
InChIKey
KGFKAUJGEFCTQE-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
45.06
TPSA
51.8

LogP / Solubility

WLOGP
1.4
MLOGP
1.23
XLogP3
1.2
Consensus LogP
1.28
Log S (ESOL)
-1.87
Class (ESOL)
Soluble
Log S (Ali)
-1.81
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.17
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)
-2.65

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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