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CAS 134653-98-8 Ethyl 6-(tert-butyl)-4-oxo-1,4-dihydropyridine-3-carboxylate molecular structure lightbox
CAS RN: 134653-98-8

Ethyl 6-(tert-butyl)-4-oxo-1,4-dihydropyridine-3-carboxylate

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250905 1g Out of stock 15 business days Inquiry
  • Product code: SSC-042506
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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 134653-98-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Hong Kong Inquiry

134653-98-8 / ethyl 6-tert-butyl-4-oxo-1H-pyridine-3-carboxylate

Standard CAS: 134653-98-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
134653-98-8
Multi CAS
No
Molecular Formula
C12H17NO3
Molecular Weight
223.270000
Exact Mass
223.120843
SMILES
CCOC(=O)C1=CNC(=CC1=O)C(C)(C)C
InChI
InChI=1S/C12H17NO3/c1-5-16-11(15)8-7-13-10(6-9(8)14)12(2,3)4/h6-7H,5H2,1-4H3,(H,13,14)
InChIKey
KXCOFAZNIVOOON-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
61.72
TPSA
59.16

LogP / Solubility

WLOGP
1.85
MLOGP
1.63
XLogP3
2.2
Consensus LogP
1.89
Log S (ESOL)
-2.53
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.73
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.89
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)
-2.77

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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