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CAS 546-88-3 Acetohydroxamic Acid molecular structure lightbox
CAS RN: 546-88-3

Acetohydroxamic Acid

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6 package records6 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251114 1ml In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250530 100g In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20250925 10g In stock Shanghai, Shenzhen, Tianjin, Wuhan Inquiry
Batchno.20250410 1kg In stock Shanghai, Tianjin Inquiry
Batchno.20250913 25g In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20250626 500g In stock Shanghai, Tianjin, Chengdu Inquiry
  • Product code: ICTA0051
  • Purity/Analytical Methods: >98.0%(T)
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546-88-3 / N-hydroxyacetamide

Standard CAS: 546-88-3 Multi CAS: No
Basic Information Physical Properties Computed Properties

Basic Information

CAS
546-88-3
Multi CAS
No
Molecular Formula
C2H5NO2
Molecular Weight
75.070000
Exact Mass
75.032028
InChI
InChI=1S/C2H5NO2/c1-2(4)3-5/h5H,1H3,(H,3,4)
InChIKey
RRUDCFGSUDOHDG-UHFFFAOYSA-N

Physical Properties

Melting Point
89-92 °C 90.5 °C
Physical Description
Solid
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
5
Fraction Csp3
0.5
H-bond acceptors
2
H-bond donors
2
Molar refractivity
15.6
TPSA
49.33

LogP / Solubility

WLOGP
-0.49
MLOGP
-0.44
XLogP3
-1.6
Consensus LogP
-0.84
Class (ESOL)
Highly soluble
Log S (Ali)
0.18
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.26
Class (SILICOS-IT)
Highly soluble

ADME

GI absorption
Low
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)
-3.52

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

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