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CAS 23505-21-7 2,6-DICHLORO-N’-HYDROXYBENZENECARBOXIMIDAMIDE molecular structure lightbox
CAS RN: 23505-21-7

2,6-DICHLORO-N’-HYDROXYBENZENECARBOXIMIDAMIDE

  • Product code: SSC-113652
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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: ≥95%
  • 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 23505-21-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

23505-21-7 / 2,6-dichloro-N'-hydroxybenzenecarboximidamide

Standard CAS: 23505-21-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
23505-21-7
Multi CAS
No
Molecular Formula
C7H6Cl2N2O
Molecular Weight
205.040000
Exact Mass
203.985718
SMILES
C1=CC(=C(C(=C1)Cl)C(=NO)N)Cl
InChI
InChI=1S/C7H6Cl2N2O/c8-4-2-1-3-5(9)6(4)7(10)11-12/h1-3,12H,(H2,10,11)
InChIKey
MULRGOOZFNLPFF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
48.97
TPSA
58.61

LogP / Solubility

WLOGP
2.09
MLOGP
1.84
XLogP3
1
Consensus LogP
1.64
Log S (ESOL)
-2.73
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.75
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.85
Class (SILICOS-IT)
Moderately 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)
-2.49

Drug-likeness / Medicinal Chemistry

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

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