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CAS 76666-32-5 3-HYDROXY-3′-METHOXYFLAVONE molecular structure lightbox
CAS RN: 76666-32-5

3-HYDROXY-3′-METHOXYFLAVONE

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4 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250828 100mg Out of stock Inquiry
Batchno.20250823 100mg / 250mg / 1g Confirm by inquiry Shanghai Inquiry
Batchno.20260224 1g Out of stock Inquiry
Batchno.20260318 250mg Out of stock Inquiry
  • Product code: starshine_CAS76666-32-5
  • Purity/Analytical Methods: >99.0%
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76666-32-5 / 3-hydroxy-2-(3-methoxyphenyl)chromen-4-one

Standard CAS: 76666-32-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
76666-32-5
Multi CAS
Yes
Molecular Formula
C16H12O4
Molecular Weight
268.260000
Exact Mass
268.073559
InChI
InChI=1S/C16H12O4/c1-19-11-6-4-5-10(9-11)16-15(18)14(17)12-7-2-3-8-13(12)20-16/h2-9,18H,1H3
InChIKey
GYLGASXCHFNKHD-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
16
Fraction Csp3
0.06
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
76.14
TPSA
59.67

LogP / Solubility

WLOGP
3.17
MLOGP
2.8
XLogP3
3.4
Consensus LogP
3.12
Log S (ESOL)
-3.96
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.05
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.28
Class (SILICOS-IT)
Slightly 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)
-2.1

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5

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