CAS RN: 56317-15-8
5,6,7,8-TETRAMETHOXYCOUMARIN
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250325 | 1mg | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS56317-15-8
- Purity/Analytical Methods: >99.0%
56317-15-8 / 5,6,7,8-tetramethoxychromen-2-one
Basic Information
CAS
56317-15-8
Multi CAS
Yes
Molecular Formula
C13H14O6
Molecular Weight
266.250000
Exact Mass
266.079038
InChI
InChI=1S/C13H14O6/c1-15-9-7-5-6-8(14)19-10(7)12(17-3)13(18-4)11(9)16-2/h5-6H,1-4H3
InChIKey
FEGDYUCKOYJQOZ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
10
Fraction Csp3
0.31
Rotatable bonds
4
H-bond acceptors
6
Molar refractivity
68.69
TPSA
67.13
LogP / Solubility
WLOGP
1.83
MLOGP
1.62
XLogP3
1.8
Consensus LogP
1.75
Log S (ESOL)
-2.77
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.06
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.39
Class (SILICOS-IT)
Poorly 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)
-3.05
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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