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CAS 1019340-49-8 4-Chloro-7-hydroxy-6-Methoxy-7-quinoline molecular structure lightbox
CAS RN: 1019340-49-8

4-Chloro-7-hydroxy-6-Methoxy-7-quinoline

  • Product code: SSC-003046
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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 1019340-49-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

1019340-49-8 / ethyl 4-(2,4-dimethylphenyl)-2,4-dioxobutanoate

SCHEMBL20924926 | ethyl 4-(2,4-dimethylphenyl)-2-hydroxy-4-oxobut-2-enoate | F872778

Standard CAS: 1019340-49-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1019340-49-8
Multi CAS
Yes
Molecular Formula
C14H16O4
Molecular Weight
248.270000
Exact Mass
248.104859
SMILES
CCOC(=O)C(=O)CC(=O)C1=C(C=C(C=C1)C)C
InChI
InChI=1S/C14H16O4/c1-4-18-14(17)13(16)8-12(15)11-6-5-9(2)7-10(11)3/h5-7H,4,8H2,1-3H3
InChIKey
XYVHEIVBAQRIGE-UHFFFAOYSA-N
Synonyms
SCHEMBL20924926 ethyl 4-(2,4-dimethylphenyl)-2-hydroxy-4-oxobut-2-enoate F872778

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
6
Fraction Csp3
0.36
Rotatable bonds
5
H-bond acceptors
4
Molar refractivity
66.5
TPSA
60.44

LogP / Solubility

WLOGP
2.01
MLOGP
1.77
XLogP3
2.6
Consensus LogP
2.13
Log S (ESOL)
-2.56
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.05
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.54
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)
-2.81

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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