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CAS 1934657-78-9 Ethyl 2,4,6-trichloronicotinate molecular structure lightbox
CAS RN: 1934657-78-9

Ethyl 2,4,6-trichloronicotinate

  • Product code: SSC-090894
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 1g, 0.1g, 0.25g, 5g
  • Available purity: ≥98%
  • Inventory rows with stock: 1
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1934657-78-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥98% 3 In Stock Shenzhen Inquiry
0.1g ≥98% 0 Out of Stock Beijing Inquiry
0.25g ≥98% 0 Out of Stock Shanghai Inquiry
5g ≥98% 0 Out of Stock Hong Kong Inquiry

1934657-78-9 / ethyl 2,4,6-trichloropyridine-3-carboxylate

Standard CAS: 1934657-78-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1934657-78-9
Multi CAS
No
Molecular Formula
C8H6Cl3NO2
Molecular Weight
254.500000
Exact Mass
252.946412
SMILES
CCOC(=O)C1=C(N=C(C=C1Cl)Cl)Cl
InChI
InChI=1S/C8H6Cl3NO2/c1-2-14-8(13)6-4(9)3-5(10)12-7(6)11/h3H,2H2,1H3
InChIKey
CYPJYAPPYRLXAT-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
55.22
TPSA
39.19

LogP / Solubility

WLOGP
3.22
MLOGP
2.84
XLogP3
3.6
Consensus LogP
3.22
Log S (ESOL)
-3.63
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.97
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.23
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)
-1.99

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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