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CAS 64267-19-2 3-Acetyl-7-MethoxycouMarin molecular structure lightbox
CAS RN: 64267-19-2

3-Acetyl-7-MethoxycouMarin

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251120 100mg / 250mg / 1g Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS64267-19-2
  • Purity/Analytical Methods: >99.0%
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64267-19-2 / 3-acetyl-7-methoxychromen-2-one

Standard CAS: 64267-19-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
64267-19-2
Multi CAS
No
Molecular Formula
C12H10O4
Molecular Weight
218.200000
Exact Mass
218.057909
InChI
InChI=1S/C12H10O4/c1-7(13)10-5-8-3-4-9(15-2)6-11(8)16-12(10)14/h3-6H,1-2H3
InChIKey
HJRFKKRMCGZIOA-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
10
Fraction Csp3
0.17
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
59.04
TPSA
56.51

LogP / Solubility

WLOGP
2
MLOGP
1.77
XLogP3
1.8
Consensus LogP
1.86
Log S (ESOL)
-2.79
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.8
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.98
Class (SILICOS-IT)
Moderately 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)
-2.63

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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