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CAS 1001050-21-0 2-bromo-5-pyrrolidin-1-ylpyrazine molecular structure lightbox
CAS RN: 1001050-21-0

2-bromo-5-pyrrolidin-1-ylpyrazine

  • Product code: SSC-000436
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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: ＞97%
  • 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 1001050-21-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shenzhen Inquiry

1001050-21-0 / 2-bromo-5-pyrrolidin-1-ylpyrazine

2-BROMO-5-(PYRROLIDIN-1-YL)PYRAZINE | 1001050-21-0 | 2-bromo-5-pyrrolidin-1-ylpyrazine

Standard CAS: 1001050-21-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1001050-21-0
Multi CAS
No
Molecular Formula
C8H10BrN3
Molecular Weight
228.090000
Exact Mass
227.005810
SMILES
C1CCN(C1)C2=CN=C(C=N2)Br
InChI
InChI=1S/C8H10BrN3/c9-7-5-11-8(6-10-7)12-3-1-2-4-12/h5-6H,1-4H2
InChIKey
OJPYLBAZSVUCNX-UHFFFAOYSA-N
Synonyms
2-BROMO-5-(PYRROLIDIN-1-YL)PYRAZINE 1001050-21-0 2-bromo-5-pyrrolidin-1-ylpyrazine Pyrazine, 2-bromo-5-(1-pyrrolidinyl)- MFCD09878938

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
51.18
TPSA
29.02

LogP / Solubility

WLOGP
1.84
MLOGP
1.62
XLogP3
1.8
Consensus LogP
1.75
Log S (ESOL)
-2.72
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.76
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.79
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)
-2.81

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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