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CAS 6093-80-7 4-Methyl-5,7-dimethoxycoumarin, 97%(HPLC) molecular structure lightbox
CAS RN: 6093-80-7

4-Methyl-5,7-dimethoxycoumarin, 97%(HPLC)

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260428 200mg / 1g / 5g Confirm by inquiry Shanghai Inquiry
  • Product code: LINM926664
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6093-80-7 / 5,7-dimethoxy-4-methylchromen-2-one

Standard CAS: 6093-80-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
6093-80-7
Multi CAS
No
Molecular Formula
C12H12O4
Molecular Weight
220.220000
Exact Mass
220.073559
SMILES
CC1=CC(=O)OC2=C1C(=CC(=C2)OC)OC
InChI
InChI=1S/C12H12O4/c1-7-4-11(13)16-10-6-8(14-2)5-9(15-3)12(7)10/h4-6H,1-3H3
InChIKey
WFSKVHPOKPQJSU-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
10
Fraction Csp3
0.25
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
60.33
TPSA
48.67

LogP / Solubility

WLOGP
2.12
MLOGP
1.87
XLogP3
1.8
Consensus LogP
1.93
Log S (ESOL)
-2.87
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.9
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.09
Class (SILICOS-IT)
Poorly 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)
-2.56

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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