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CAS 299441-13-7 2(1H)-Pyrazinone,5-chloro-,hydrazone(9CI) molecular structure lightbox
CAS RN: 299441-13-7

2(1H)-Pyrazinone,5-chloro-,hydrazone(9CI)

  • Product code: SSC-133354
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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 299441-13-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Beijing Inquiry

299441-13-7 / (5-chloropyrazin-2-yl)hydrazine

Standard CAS: 299441-13-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
299441-13-7
Multi CAS
Yes
Molecular Formula
C4H5CLN4
Molecular Weight
144.560000
Exact Mass
144.020274
InChI
InChI=1S/C4H5ClN4/c5-3-1-8-4(9-6)2-7-3/h1-2H,6H2,(H,8,9)
InChIKey
MIAGZVVFJPCALQ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
2
Molar refractivity
34.85
TPSA
63.83

LogP / Solubility

WLOGP
0.42
MLOGP
0.36
XLogP3
0.3
Consensus LogP
0.36
Log S (ESOL)
-1.43
Class (ESOL)
Soluble
Log S (Ali)
-1.05
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.06
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)
-3.31

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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