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CAS 1019379-49-7 Ethyl 4-(1-Naphthyl)-2,4-dioxobutanoate molecular structure lightbox
CAS RN: 1019379-49-7

Ethyl 4-(1-Naphthyl)-2,4-dioxobutanoate

  • Product code: SSC-003053
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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, 0.25g, 0.1g
  • Available purity: >95%
  • Inventory rows with stock: 2
  • 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 1019379-49-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >95% 5 In Stock Shenzhen Inquiry
0.25g >95% 3 In Stock Shenzhen Inquiry
0.1g >95% 0 Out of Stock Shanghai Inquiry

1019379-49-7 / ethyl 4-naphthalen-1-yl-2,4-dioxobutanoate

SCHEMBL20924939

Standard CAS: 1019379-49-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1019379-49-7
Multi CAS
Yes
Molecular Formula
C16H14O4
Molecular Weight
270.280000
Exact Mass
270.089209
SMILES
CCOC(=O)C(=O)CC(=O)C1=CC=CC2=CC=CC=C21
InChI
InChI=1S/C16H14O4/c1-2-20-16(19)15(18)10-14(17)13-9-5-7-11-6-3-4-8-12(11)13/h3-9H,2,10H2,1H3
InChIKey
ZZXPDQIRXRJXEI-UHFFFAOYSA-N
Synonyms
SCHEMBL20924939

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
10
Fraction Csp3
0.19
Rotatable bonds
5
H-bond acceptors
4
Molar refractivity
74.54
TPSA
60.44

LogP / Solubility

WLOGP
2.54
MLOGP
2.25
XLogP3
3.1
Consensus LogP
2.63
Log S (ESOL)
-3.16
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.61
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.13
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.56

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5

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