![CAS 14944-34-4 6,7-(Epoxymethanoxy)-9-(1,3-benzodioxole-5-yl)-1,3-dihydronaphtho[2,3-c]furan-1-one molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/14944-34-4.gif)
CAS RN: 14944-34-4
6,7-(Epoxymethanoxy)-9-(1,3-benzodioxole-5-yl)-1,3-dihydronaphtho[2,3-c]furan-1-one
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.20260501 | 5mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS14944-34-4
- Purity/Analytical Methods: >99.0%
14944-34-4 / 5-(1,3-benzodioxol-5-yl)-8H-[2]benzofuro[5,6-f][1,3]benzodioxol-6-one
Basic Information
CAS
14944-34-4
Multi CAS
No
Molecular Formula
C20H12O6
Molecular Weight
348.300000
Exact Mass
348.063388
SMILES
C1C2=C(C(=C3C=C4C(=CC3=C2)OCO4)C5=CC6=C(C=C5)OCO6)C(=O)O1
InChI
InChI=1S/C20H12O6/c21-20-19-12(7-22-20)3-11-5-16-17(26-9-25-16)6-13(11)18(19)10-1-2-14-15(4-10)24-8-23-14/h1-6H,7-9H2
InChIKey
YMGOOHXUOWZQOE-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
26
Aromatic heavy atom count
16
Fraction Csp3
0.15
Rotatable bonds
1
H-bond acceptors
6
Molar refractivity
90.75
TPSA
63.22
LogP / Solubility
WLOGP
3.63
MLOGP
3.22
XLogP3
3.8
Consensus LogP
3.55
Log S (ESOL)
-4.68
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.04
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.06
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.26
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4
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