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CAS 154012-16-5 Ethyl 5-amino-4,6-dichloronicotinate molecular structure lightbox
CAS RN: 154012-16-5

Ethyl 5-amino-4,6-dichloronicotinate

  • Product code: SSC-063391
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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: 1g
  • 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 154012-16-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shenzhen Inquiry

154012-16-5 / ethyl 5-amino-4,6-dichloropyridine-3-carboxylate

Standard CAS: 154012-16-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
154012-16-5
Multi CAS
No
Molecular Formula
C8H8Cl2N2O2
Molecular Weight
235.060000
Exact Mass
233.996283
SMILES
CCOC(=O)C1=CN=C(C(=C1Cl)N)Cl
InChI
InChI=1S/C8H8Cl2N2O2/c1-2-14-8(13)4-3-12-7(10)6(11)5(4)9/h3H,2,11H2,1H3
InChIKey
ORXJGLJHMZMKMH-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
4
H-bond donors
1
Molar refractivity
54.63
TPSA
65.21

LogP / Solubility

WLOGP
2.15
MLOGP
1.89
XLogP3
2
Consensus LogP
2.01
Log S (ESOL)
-2.84
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.04
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.21
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)
-2.63

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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