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CAS 1073159-68-8 N-(3-cyanopyrazin-2-yl)-N-methylmethanesulfonamide molecular structure lightbox
CAS RN: 1073159-68-8

N-(3-cyanopyrazin-2-yl)-N-methylmethanesulfonamide

  • Product code: SSC-008858
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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 1073159-68-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shenzhen Inquiry

1073159-68-8 / N-(3-cyanopyrazin-2-yl)-N-methylmethanesulfonamide

N-(3-cyanopyrazin-2-yl)-N-methylmethanesulfonamide | MFCD28405940 | N-(3-cyano-pyrazin-2-yl)-N-methyl-methanesulfonamide

Standard CAS: 1073159-68-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1073159-68-8
Multi CAS
No
Molecular Formula
C7H8N4O2S
Molecular Weight
212.230000
Exact Mass
212.036797
SMILES
CN(C1=NC=CN=C1C#N)S(=O)(=O)C
InChI
InChI=1S/C7H8N4O2S/c1-11(14(2,12)13)7-6(5-8)9-3-4-10-7/h3-4H,1-2H3
InChIKey
BGVJHAYXHSRENE-UHFFFAOYSA-N
Synonyms
N-(3-cyanopyrazin-2-yl)-N-methylmethanesulfonamide MFCD28405940 N-(3-cyano-pyrazin-2-yl)-N-methyl-methanesulfonamide SCHEMBL1626116 SCHEMBL29783041

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.29
Rotatable bonds
2
H-bond acceptors
5
Molar refractivity
49.99
TPSA
86.95

LogP / Solubility

WLOGP
-0.26
MLOGP
-0.22
XLogP3
-0.7
Consensus LogP
-0.39
Log S (ESOL)
-1.18
Class (ESOL)
Soluble
Log S (Ali)
-1.12
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.07
Class (SILICOS-IT)
Soluble

ADME

GI absorption
High
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)
-4.2

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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