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CAS 23256-50-0 Guanabenz Acetate molecular structure lightbox
CAS RN: 23256-50-0

Guanabenz Acetate

  • Product code: SSC-112919
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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 23256-50-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥97% 0 Out of Stock Beijing Inquiry

23256-50-0 / acetic acid;2-[(E)-(2,6-dichlorophenyl)methylideneamino]guanidine

Standard CAS: 23256-50-0 Multi CAS: No
Basic Information Physical Properties Computed Properties

Basic Information

CAS
23256-50-0
Multi CAS
No
Molecular Formula
C10H12Cl2N4O2
Molecular Weight
291.130000
Exact Mass
290.033731
SMILES
CC(=O)O.C1=CC(=C(C(=C1)Cl)/C=N/N=C(N)N)Cl
InChI
InChI=1S/C8H8Cl2N4.C2H4O2/c9-6-2-1-3-7(10)5(6)4-13-14-8(11)12;1-2(3)4/h1-4H,(H4,11,12,14);1H3,(H,3,4)/b13-4+;
InChIKey
MCSPBPXATWBACD-GAYQJXMFSA-N

Physical Properties

Melting Point
227-229 °C (decomposition)
Appearance
White solid from acetonitrile White to almost white powder
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
6
Fraction Csp3
0.1
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
3
Molar refractivity
73.18
TPSA
114.06

LogP / Solubility

WLOGP
1.69
MLOGP
1.5
XLogP3
1.69
Consensus LogP
1.63
Log S (ESOL)
-2.83
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.17
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.2
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.29

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5

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