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CAS 1804-15-5 Methylglyoxime molecular structure lightbox
CAS RN: 1804-15-5

Methylglyoxime

  • Product code: SSC-081179
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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: 25g
  • 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 1804-15-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ≥97% 0 Out of Stock Shenzhen Inquiry

1804-15-5 / (NE)-N-[(1E)-1-hydroxyiminopropan-2-ylidene]hydroxylamine

Standard CAS: 1804-15-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1804-15-5
Multi CAS
No
Molecular Formula
C3H6N2O2
Molecular Weight
102.090000
Exact Mass
102.042927
SMILES
C/C(=N\O)/C=N/O
InChI
InChI=1S/C3H6N2O2/c1-3(5-7)2-4-6/h2,6-7H,1H3/b4-2+,5-3+
InChIKey
KFTHGQZJWAXFGG-ZUVMSYQZSA-N

Computed Properties

Structural Parameters

Heavy atom count
7
Fraction Csp3
0.33
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
2
Molar refractivity
25.17
TPSA
65.18

LogP / Solubility

WLOGP
0.3
MLOGP
0.25
XLogP3
0.1
Consensus LogP
0.22
Log S (ESOL)
-0.59
Class (ESOL)
Very soluble
Log S (Ali)
-0.61
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.69
Class (SILICOS-IT)
Very 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)
-3.13

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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