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CAS 2859-88-3 7-HYDROXY-2-METHYL-3-PHENYL-CHROMEN-4-ONE molecular structure lightbox
CAS RN: 2859-88-3

7-HYDROXY-2-METHYL-3-PHENYL-CHROMEN-4-ONE

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260505 25mg / 100mg / 250mg / 1g Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS2859-88-3
  • Purity/Analytical Methods: >99.0%
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2859-88-3 / 7-hydroxy-2-methyl-3-phenylchromen-4-one

Standard CAS: 2859-88-3 Multi CAS: No
Basic Information Physical Properties Computed Properties

Basic Information

CAS
2859-88-3
Multi CAS
No
Molecular Formula
C16H12O3
Molecular Weight
252.260000
Exact Mass
252.078644
InChI
InChI=1S/C16H12O3/c1-10-15(11-5-3-2-4-6-11)16(18)13-8-7-12(17)9-14(13)19-10/h2-9,17H,1H3
InChIKey
BBCDTCKKROIGAB-UHFFFAOYSA-N

Physical Properties

Melting Point
240 °C
Physical Description
Solid
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
16
Fraction Csp3
0.06
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
74.32
TPSA
50.44

LogP / Solubility

WLOGP
3.47
MLOGP
3.06
XLogP3
3.1
Consensus LogP
3.21
Log S (ESOL)
-4.15
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.14
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.3
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)
-1.79

Drug-likeness / Medicinal Chemistry

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

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