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CAS 356783-26-1 3,6-Difluoro-pyrazine-2-carboxylic acid Methyl ester molecular structure lightbox
CAS RN: 356783-26-1

3,6-Difluoro-pyrazine-2-carboxylic acid Methyl ester

  • Product code: SSC-142718
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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 356783-26-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞95% 0 Out of Stock Hong Kong Inquiry

356783-26-1 / methyl 3,6-difluoropyrazine-2-carboxylate

Standard CAS: 356783-26-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
356783-26-1
Multi CAS
No
Molecular Formula
C6F2H4N2O2
Molecular Weight
174.100000
Exact Mass
174.024084
InChI
InChI=1S/C6H4F2N2O2/c1-12-6(11)4-5(8)9-2-3(7)10-4/h2H,1H3
InChIKey
CKZOKSMLAGXOJY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.17
Rotatable bonds
1
H-bond acceptors
4
Molar refractivity
33.29
TPSA
52.08

LogP / Solubility

WLOGP
0.54
MLOGP
0.47
XLogP3
0.8
Consensus LogP
0.6
Log S (ESOL)
-1.56
Class (ESOL)
Soluble
Log S (Ali)
-1.38
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.36
Class (SILICOS-IT)
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)
-3.4

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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