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CAS 13457-23-3 Methyl 6-bromo-3-(methylamino)pyrazine-2-carboxylate molecular structure lightbox
CAS RN: 13457-23-3

Methyl 6-bromo-3-(methylamino)pyrazine-2-carboxylate

  • Product code: SSC-042412
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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: 0.1g
  • 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 13457-23-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ＞95% 0 Out of Stock Shenzhen Inquiry

13457-23-3 / methyl 6-bromo-3-(methylamino)pyrazine-2-carboxylate

Standard CAS: 13457-23-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
13457-23-3
Multi CAS
No
Molecular Formula
C7H8BrN3O2
Molecular Weight
246.060000
Exact Mass
244.979990
SMILES
CNC1=NC=C(N=C1C(=O)OC)Br
InChI
InChI=1S/C7H8BrN3O2/c1-9-6-5(7(12)13-2)11-4(8)3-10-6/h3H,1-2H3,(H,9,10)
InChIKey
UKVSTTVEIRVEMS-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.29
Rotatable bonds
2
H-bond acceptors
5
H-bond donors
1
Molar refractivity
50.62
TPSA
64.11

LogP / Solubility

WLOGP
1.07
MLOGP
0.94
XLogP3
1.9
Consensus LogP
1.3
Log S (ESOL)
-2.25
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.35
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.39
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)
-3.46

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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