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CAS 110-20-3 Acetone Semicarbazone molecular structure lightbox
CAS RN: 110-20-3

Acetone Semicarbazone

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4 package records3 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20260313 100g In stock Inquiry
Batchno.20250710 25g In stock Inquiry
Batchno.20250213 500g Out of stock Inquiry
Batchno.20250815 5g In stock Inquiry
  • Product code: SSC-011243
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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: 5g
  • 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 110-20-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥97% 0 Out of Stock Hong Kong Inquiry

110-20-3 / (propan-2-ylideneamino)urea

Acetone semicarbazone | Acetonesemicarbazone | 2-Propanone, semicarbazone

Standard CAS: 110-20-3 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
110-20-3
Multi CAS
Yes
Molecular Formula
C4H9N3O
Molecular Weight
115.130000
Exact Mass
115.074562
SMILES
CC(=NNC(=O)N)C
InChI
InChI=1S/C4H9N3O/c1-3(2)6-7-4(5)8/h1-2H3,(H3,5,7,8)
InChIKey
HQDAJGNZGNZGCO-UHFFFAOYSA-N
Synonyms
Acetone semicarbazone Acetonesemicarbazone 2-Propanone, semicarbazone Hydrazinecarboxamide, 2-(1-methylethylidene)- NSC 456

Computed Properties

Structural Parameters

Heavy atom count
8
Fraction Csp3
0.5
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
31.5
TPSA
67.48

LogP / Solubility

WLOGP
0.05
MLOGP
0.03
XLogP3
-0.8
Consensus LogP
-0.24
Log S (ESOL)
-0.52
Class (ESOL)
Very soluble
Log S (Ali)
-0.54
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.57
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)
-3.39

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

Safety & Transport

Pictogram(s)
Acute Toxic
Signal
Danger
GHS Hazard Statements
H301 (97.7%): Toxic if swallowed [Danger Acute toxicity, oral]
Precautionary Statement Codes
P264, P270, P301+P316, P321, P330, P405, and P501

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