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CAS 17149-35-8 2-aMino-3-(Methoxycarbonyl)pyrazine 1-oxide molecular structure lightbox
CAS RN: 17149-35-8

2-aMino-3-(Methoxycarbonyl)pyrazine 1-oxide

  • Product code: SSC-075529
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 0.1g, 0.25g, 1g, 5g
  • Available purity: ≥95%
  • Inventory rows with stock: 4
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 17149-35-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 2 In Stock Shenzhen Inquiry
0.25g ≥95% 2 In Stock Beijing Inquiry
1g ≥95% 2 In Stock Hong Kong Inquiry
5g ≥95% 2 In Stock Shenzhen Inquiry

17149-35-8 / methyl 4-hydroxy-3-iminopyrazine-2-carboxylate

Standard CAS: 17149-35-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
17149-35-8
Multi CAS
No
Molecular Formula
C6H7N3O3
Molecular Weight
169.140000
Exact Mass
169.048741
SMILES
COC(=O)C1=NC=CN(C1=N)O
InChI
InChI=1S/C6H7N3O3/c1-12-6(10)4-5(7)9(11)3-2-8-4/h2-3,7,11H,1H3
InChIKey
OOXYBLORSFSXGC-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
6
H-bond donors
2
Molar refractivity
36.61
TPSA
88.2

LogP / Solubility

WLOGP
-0.61
MLOGP
-0.54
XLogP3
-0.7
Consensus LogP
-0.62
Log S (ESOL)
-0.81
Class (ESOL)
Very soluble
Log S (Ali)
-0.5
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.37
Class (SILICOS-IT)
Very soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.19

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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