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CAS 409127-32-8 Methyl 2,6-dichloro-4-cyanobenzoate molecular structure lightbox
CAS RN: 409127-32-8

Methyl 2,6-dichloro-4-cyanobenzoate

  • Product code: SSC-149294
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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: 0.1g
  • 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 409127-32-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 0 Out of Stock Shenzhen Inquiry

409127-32-8 / methyl 2,6-dichloro-4-cyanobenzoate

Standard CAS: 409127-32-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
409127-32-8
Multi CAS
Yes
Molecular Formula
C9H5CL2NO2
Molecular Weight
230.040000
Exact Mass
228.969734
InChI
InChI=1S/C9H5Cl2NO2/c1-14-9(13)8-6(10)2-5(4-12)3-7(8)11/h2-3H,1H3
InChIKey
SFGSLCVSCBZCIC-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.11
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
52.52
TPSA
50.09

LogP / Solubility

WLOGP
2.65
MLOGP
2.34
XLogP3
2.5
Consensus LogP
2.5
Log S (ESOL)
-3.19
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.36
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.48
Class (SILICOS-IT)
Poorly 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)
-2.24

Drug-likeness / Medicinal Chemistry

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

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