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CAS 6942-61-6 Ethyl 4-Oxo-4-(p-tolyl)butyrate molecular structure lightbox
CAS RN: 6942-61-6

Ethyl 4-Oxo-4-(p-tolyl)butyrate

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250902 1g In stock Shanghai Inquiry
  • Product code: SSC-179109
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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: ≥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 6942-61-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

6942-61-6 / ethyl 4-(4-methylphenyl)-4-oxobutanoate

Standard CAS: 6942-61-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
6942-61-6
Multi CAS
Yes
Molecular Formula
C13H16O3
Molecular Weight
220.260000
Exact Mass
220.109944
InChI
InChI=1S/C13H16O3/c1-3-16-13(15)9-8-12(14)11-6-4-10(2)5-7-11/h4-7H,3,8-9H2,1-2H3
InChIKey
LFHSFGIXTQENJM-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.38
Rotatable bonds
5
H-bond acceptors
3
Molar refractivity
61.38
TPSA
43.37

LogP / Solubility

WLOGP
2.52
MLOGP
2.22
XLogP3
2.1
Consensus LogP
2.28
Log S (ESOL)
-2.74
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.19
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.78
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)
-2.27

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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