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CAS 22084-94-2 7-Methoxy-8-hydroxy-4-MethylcouMarin molecular structure lightbox
CAS RN: 22084-94-2

7-Methoxy-8-hydroxy-4-MethylcouMarin

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251223 1mg / 5mg Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS22084-94-2
  • Purity/Analytical Methods: >99.0%
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22084-94-2 / 8-hydroxy-7-methoxy-4-methylchromen-2-one

Standard CAS: 22084-94-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
22084-94-2
Multi CAS
No
Molecular Formula
C11H10O4
Molecular Weight
206.190000
Exact Mass
206.057909
SMILES
CC1=CC(=O)OC2=C1C=CC(=C2O)OC
InChI
InChI=1S/C11H10O4/c1-6-5-9(12)15-11-7(6)3-4-8(14-2)10(11)13/h3-5,13H,1-2H3
InChIKey
HHSJFOILNWMNFO-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
10
Fraction Csp3
0.18
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
55.44
TPSA
59.67

LogP / Solubility

WLOGP
1.82
MLOGP
1.6
XLogP3
1.4
Consensus LogP
1.61
Log S (ESOL)
-2.69
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.56
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.63
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.69

Drug-likeness / Medicinal Chemistry

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

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