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CAS 28587-43-1 7-Geranyloxy-6-methoxycoumarin molecular structure lightbox
CAS RN: 28587-43-1

7-Geranyloxy-6-methoxycoumarin

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2 package records0 with current stock2 grade groups
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Batchno.20260306 1mg Out of stock 30 business days Inquiry
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  • Product code: starshine_CAS28587-43-1
  • Purity/Analytical Methods: >99.0%
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28587-43-1 / 7-[(2E)-3,7-dimethylocta-2,6-dienoxy]-6-methoxychromen-2-one

Standard CAS: 28587-43-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
28587-43-1
Multi CAS
Yes
Molecular Formula
C20H24O4
Molecular Weight
328.400000
Exact Mass
328.167459
InChI
InChI=1S/C20H24O4/c1-14(2)6-5-7-15(3)10-11-23-19-13-17-16(12-18(19)22-4)8-9-20(21)24-17/h6,8-10,12-13H,5,7,11H2,1-4H3/b15-10+
InChIKey
NLNMITFNBJXRRP-XNTDXEJSSA-N

Computed Properties

Structural Parameters

Heavy atom count
24
Aromatic heavy atom count
10
Fraction Csp3
0.35
Rotatable bonds
7
H-bond acceptors
4
Molar refractivity
96.95
TPSA
48.67

LogP / Solubility

WLOGP
4.87
MLOGP
4.3
XLogP3
5.2
Consensus LogP
4.79
Log S (ESOL)
-4.79
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.77
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.68
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.26

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

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