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CAS 54711-39-6 7-(DiethylaMino)couMarin-3-carbaldehyde molecular structure lightbox
CAS RN: 54711-39-6

7-(DiethylaMino)couMarin-3-carbaldehyde

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1 package records0 with current stock
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260617 1g Out of stock 30 business days Inquiry
  • Product code: starshine_CAS54711-39-6
  • Purity/Analytical Methods: >99.0%
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54711-39-6 / 7-(diethylamino)-2-oxochromene-3-carbaldehyde

Standard CAS: 54711-39-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
54711-39-6
Multi CAS
Yes
Molecular Formula
C14H15NO3
Molecular Weight
245.270000
Exact Mass
245.105193
InChI
InChI=1S/C14H15NO3/c1-3-15(4-2)11-5-6-12-10(9-16)7-14(17)18-13(12)8-11/h5-9H,3-4H2,1-2H3
InChIKey
OEDBHOAJDADPMY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
10
Fraction Csp3
0.29
Rotatable bonds
4
H-bond acceptors
4
Molar refractivity
71.43
TPSA
50.52

LogP / Solubility

WLOGP
2.45
MLOGP
2.16
XLogP3
2.4
Consensus LogP
2.34
Log S (ESOL)
-3.05
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.34
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.77
Class (SILICOS-IT)
Poorly 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)
-2.48

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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