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CAS 21392-48-3 7-HYDROXY-8-METHYL-4-PHENYL-2H-CHROMEN-2-ONE molecular structure lightbox
CAS RN: 21392-48-3

7-HYDROXY-8-METHYL-4-PHENYL-2H-CHROMEN-2-ONE

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250818 5g Out of stock 15 business days Inquiry
  • Product code: starshine_CAS21392-48-3
  • Purity/Analytical Methods: >99.0%
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21392-48-3 / 7-hydroxy-8-methyl-4-phenylchromen-2-one

Standard CAS: 21392-48-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
21392-48-3
Multi CAS
No
Molecular Formula
C16H12O3
Molecular Weight
252.260000
Exact Mass
252.078644
SMILES
CC1=C(C=CC2=C1OC(=O)C=C2C3=CC=CC=C3)O
InChI
InChI=1S/C16H12O3/c1-10-14(17)8-7-12-13(9-15(18)19-16(10)12)11-5-3-2-4-6-11/h2-9,17H,1H3
InChIKey
ZRMUHRWNDDQVEX-UHFFFAOYSA-N

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
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5

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