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CAS 31525-76-5 5-Methoxyseselin molecular structure lightbox
CAS RN: 31525-76-5

5-Methoxyseselin

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2 package records0 with current stock2 grade groups
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251201 5mg Out of stock 5-7 business days Inquiry
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Batchno.20250110 1mg Out of stock Inquiry
  • Product code: starshine_CAS31525-76-5
  • Purity/Analytical Methods: >99.0%
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31525-76-5 / 5-methoxy-8,8-dimethylpyrano[2,3-f]chromen-2-one

Standard CAS: 31525-76-5 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
31525-76-5
Multi CAS
Yes
Molecular Formula
C15H14O4
Molecular Weight
258.270000
Exact Mass
258.089209
InChI
InChI=1S/C15H14O4/c1-15(2)7-6-10-12(19-15)8-11(17-3)9-4-5-13(16)18-14(9)10/h4-8H,1-3H3
InChIKey
ZNMRQYJUVCXNGK-UHFFFAOYSA-N

Physical Properties

Melting Point
162 - 164 °C
Physical Description
Solid
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
10
Fraction Csp3
0.27
Rotatable bonds
1
H-bond acceptors
4
Molar refractivity
72.78
TPSA
48.67

LogP / Solubility

WLOGP
2.99
MLOGP
2.63
XLogP3
2.8
Consensus LogP
2.81
Log S (ESOL)
-3.65
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.83
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.94
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)
-2.18

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5

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