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CAS 1845754-43-9 5-Bromo-3-cyclopropylpyrazin-2-amine molecular structure lightbox
CAS RN: 1845754-43-9

5-Bromo-3-cyclopropylpyrazin-2-amine

  • Product code: SSC-085329
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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 1845754-43-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >95% 0 Out of Stock Shanghai Inquiry

1845754-43-9 / 5-bromo-3-cyclopropylpyrazin-2-amine

Standard CAS: 1845754-43-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1845754-43-9
Multi CAS
No
Molecular Formula
C7H8BrN3
Molecular Weight
214.060000
Exact Mass
212.990160
SMILES
C1CC1C2=NC(=CN=C2N)Br
InChI
InChI=1S/C7H8BrN3/c8-5-3-10-7(9)6(11-5)4-1-2-4/h3-4H,1-2H2,(H2,9,10)
InChIKey
MXVFWKKPWINLDU-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.43
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
46.12
TPSA
51.8

LogP / Solubility

WLOGP
1.7
MLOGP
1.5
XLogP3
1
Consensus LogP
1.4
Log S (ESOL)
-2.58
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.54
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.58
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)
-2.82

Drug-likeness / Medicinal Chemistry

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

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