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CAS 625-77-4 DIACETAMIDE molecular structure lightbox
CAS RN: 625-77-4

DIACETAMIDE

  • Product code: SSC-171687
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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 625-77-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥97% 0 Out of Stock Hong Kong Inquiry

625-77-4 / N-acetylacetamide

Standard CAS: 625-77-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
625-77-4
Multi CAS
No
Molecular Formula
C4H7NO2
Molecular Weight
101.100000
Exact Mass
101.047678
InChI
InChI=1S/C4H7NO2/c1-3(6)5-4(2)7/h1-2H3,(H,5,6,7)
InChIKey
ZSBDPRIWBYHIAF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
7
Fraction Csp3
0.5
H-bond acceptors
2
H-bond donors
1
Molar refractivity
24.5
TPSA
46.17

LogP / Solubility

WLOGP
-0.33
MLOGP
-0.3
XLogP3
-1.4
Consensus LogP
-0.68
Log S (ESOL)
-0.26
Class (ESOL)
Very soluble
Log S (Ali)
-0.15
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.04
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)
-3.57

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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