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CAS 24258-36-4 7-Methoxy-8-hydroxy-4-phenylcouMarin molecular structure lightbox
CAS RN: 24258-36-4

7-Methoxy-8-hydroxy-4-phenylcouMarin

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251220 20mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS24258-36-4
  • Purity/Analytical Methods: >99.0%
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24258-36-4 / 8-hydroxy-7-methoxy-4-phenylchromen-2-one

Standard CAS: 24258-36-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
24258-36-4
Multi CAS
No
Molecular Formula
C16H12O4
Molecular Weight
268.260000
Exact Mass
268.073559
SMILES
COC1=C(C2=C(C=C1)C(=CC(=O)O2)C3=CC=CC=C3)O
InChI
InChI=1S/C16H12O4/c1-19-13-8-7-11-12(10-5-3-2-4-6-10)9-14(17)20-16(11)15(13)18/h2-9,18H,1H3
InChIKey
QQDFIARNUQLEPL-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
2.7
Consensus LogP
2.89
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
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5

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