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CAS 846023-24-3 2-CYANO-N-(2,4-DICHLORO-5-METHOXYPHENYL) ACETAMIDE molecular structure lightbox
CAS RN: 846023-24-3

2-CYANO-N-(2,4-DICHLORO-5-METHOXYPHENYL) ACETAMIDE

  • Product code: SSC-192181
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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: 25g
  • 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 846023-24-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ＞97% 0 Out of Stock Hong Kong Inquiry

846023-24-3 / 2-cyano-N-(2,4-dichloro-5-methoxyphenyl)acetamide

Standard CAS: 846023-24-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
846023-24-3
Multi CAS
Yes
Molecular Formula
C10H8CL2N2O2
Molecular Weight
259.090000
Exact Mass
257.996283
InChI
InChI=1S/C10H8Cl2N2O2/c1-16-9-5-8(6(11)4-7(9)12)14-10(15)2-3-13/h4-5H,2H2,1H3,(H,14,15)
InChIKey
RPWHAQJEZWBZGX-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.2
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
61.87
TPSA
62.12

LogP / Solubility

WLOGP
2.85
MLOGP
2.52
XLogP3
2.9
Consensus LogP
2.76
Log S (ESOL)
-3.32
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.75
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.07
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.27

Drug-likeness / Medicinal Chemistry

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

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