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CAS 5689-38-3 8-Demethyleucalyptin molecular structure lightbox
CAS RN: 5689-38-3

8-Demethyleucalyptin

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260422 1mg Out of stock 30 business days Inquiry
  • Product code: starshine_CAS5689-38-3
  • Purity/Analytical Methods: >99.0%
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5689-38-3 / 5-hydroxy-7-methoxy-2-(4-methoxyphenyl)-6-methylchromen-4-one

Standard CAS: 5689-38-3 Multi CAS: No
Basic Information Physical Properties Computed Properties

Basic Information

CAS
5689-38-3
Multi CAS
No
Molecular Formula
C18H16O5
Molecular Weight
312.300000
Exact Mass
312.099774
InChI
InChI=1S/C18H16O5/c1-10-14(22-3)9-16-17(18(10)20)13(19)8-15(23-16)11-4-6-12(21-2)7-5-11/h4-9,20H,1-3H3
InChIKey
QPWOSZAYIILLKU-UHFFFAOYSA-N

Physical Properties

Melting Point
187 - 188 °C
Physical Description
Solid
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
23
Aromatic heavy atom count
16
Fraction Csp3
0.17
Rotatable bonds
3
H-bond acceptors
5
H-bond donors
1
Molar refractivity
87.43
TPSA
68.9

LogP / Solubility

WLOGP
3.49
MLOGP
3.09
XLogP3
2.8
Consensus LogP
3.13
Log S (ESOL)
-4.29
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.64
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.95
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.15

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2.5

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