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CAS 96568-04-6 Ethyl 3-(2,6-Dichloro-5-fluoro-3-pyridyl)-3-oxopropionate molecular structure lightbox
CAS RN: 96568-04-6

Ethyl 3-(2,6-Dichloro-5-fluoro-3-pyridyl)-3-oxopropionate

Product Availability

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4 package records3 with current stock2 grade groups
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260429 100g In stock Inquiry
Batchno.20260227 25g In stock Inquiry
Batchno.20250126 5g In stock Inquiry
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260112 5g / 25g / 100g Out of stock 5-7 business days Inquiry
  • Product code: SSC-212050
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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: 100g
  • 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 96568-04-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
100g ≥97% 0 Out of Stock Beijing Inquiry

96568-04-6 / ethyl 3-(2,6-dichloro-5-fluoro-3-pyridinyl)-3-oxopropanoate

Standard CAS: 96568-04-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
96568-04-6
Multi CAS
Yes
Molecular Formula
C10H8CL2FNO3
Molecular Weight
280.080000
Exact Mass
278.986527
InChI
InChI=1S/C10H8Cl2FNO3/c1-2-17-8(16)4-7(15)5-3-6(13)10(12)14-9(5)11/h3H,2,4H2,1H3
InChIKey
IEUHWNLWVMLHHC-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.3
Rotatable bonds
4
H-bond acceptors
4
Molar refractivity
59.8
TPSA
56.26

LogP / Solubility

WLOGP
2.66
MLOGP
2.35
XLogP3
2.9
Consensus LogP
2.64
Log S (ESOL)
-3.25
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.78
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.17
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.54

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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