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CAS 873450-61-4 Ethyl 4,6-dichloropicolinate molecular structure lightbox
CAS RN: 873450-61-4

Ethyl 4,6-dichloropicolinate

  • Product code: SSC-197189
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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: 5g
  • 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 873450-61-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ＞97% 0 Out of Stock Beijing Inquiry

873450-61-4 / ethyl 4,6-dichloropyridine-2-carboxylate

Standard CAS: 873450-61-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
873450-61-4
Multi CAS
No
Molecular Formula
C8H7CL2NO2
Molecular Weight
220.050000
Exact Mass
218.985384
InChI
InChI=1S/C8H7Cl2NO2/c1-2-13-8(12)6-3-5(9)4-7(10)11-6/h3-4H,2H2,1H3
InChIKey
BKDVLXYPBAYFMR-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
50.21
TPSA
39.19

LogP / Solubility

WLOGP
2.57
MLOGP
2.26
XLogP3
3
Consensus LogP
2.61
Log S (ESOL)
-3.03
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.22
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.46
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
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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