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CAS 438631-29-9 (1Z)-N’-hydroxy-2-(1H-1,2,4-triazol-1-yl)ethanimidamide(SALTDATA: FREE) molecular structure lightbox
CAS RN: 438631-29-9

(1Z)-N’-hydroxy-2-(1H-1,2,4-triazol-1-yl)ethanimidamide(SALTDATA: FREE)

  • Product code: SSC-151946
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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 438631-29-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

438631-29-9 / N'-hydroxy-2-(1,2,4-triazol-1-yl)ethanimidamide

Standard CAS: 438631-29-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
438631-29-9
Multi CAS
Yes
Molecular Formula
C4H7N5O
Molecular Weight
141.130000
Exact Mass
141.065060
InChI
InChI=1S/C4H7N5O/c5-4(8-10)1-9-3-6-2-7-9/h2-3,10H,1H2,(H2,5,8)
InChIKey
XIVWQXRPIVXZRZ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
5
Fraction Csp3
0.25
Rotatable bonds
2
H-bond acceptors
5
H-bond donors
2
Molar refractivity
33.43
TPSA
89.32

LogP / Solubility

WLOGP
-0.98
MLOGP
-0.87
XLogP3
-0.7
Consensus LogP
-0.85
Log S (ESOL)
-0.34
Class (ESOL)
Very soluble
Log S (Ali)
-0.01
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.01
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)
-4.27

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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