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CAS 86129-62-6 ethyl 1,2-dihydro-2-oxo-4-chloro-6-methylpyridine-3-carboxylate molecular structure lightbox
CAS RN: 86129-62-6

ethyl 1,2-dihydro-2-oxo-4-chloro-6-methylpyridine-3-carboxylate

  • Product code: SSC-194984
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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: ≥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 86129-62-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Shanghai Inquiry

86129-62-6 / ethyl 4-chloro-6-methyl-2-oxo-1H-pyridine-3-carboxylate

Standard CAS: 86129-62-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
86129-62-6
Multi CAS
Yes
Molecular Formula
C9H10CLNO3
Molecular Weight
215.630000
Exact Mass
215.034921
InChI
InChI=1S/C9H10ClNO3/c1-3-14-9(13)7-6(10)4-5(2)11-8(7)12/h4H,3H2,1-2H3,(H,11,12)
InChIKey
LCAOURNJLXCNNF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
52.77
TPSA
59.16

LogP / Solubility

WLOGP
1.51
MLOGP
1.33
XLogP3
1.4
Consensus LogP
1.41
Log S (ESOL)
-2.32
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.42
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.56
Class (SILICOS-IT)
Moderately 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)
-2.96

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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