![CAS 22743-05-1 5-(1,3-Benzodioxol-5-yl)-9-hydroxyfuro[3′,4′:6,7]naphtho[2,3-d]-1,3-dioxol-6(8H)-one molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/22743-05-1.gif)
CAS RN: 22743-05-1
5-(1,3-Benzodioxol-5-yl)-9-hydroxyfuro[3′,4′:6,7]naphtho[2,3-d]-1,3-dioxol-6(8H)-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.20250407 | 5mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS22743-05-1
- Purity/Analytical Methods: >99.0%
22743-05-1 / 9-(1,3-benzodioxol-5-yl)-5-hydroxy-6H-[2]benzofuro[5,6-f][1,3]benzodioxol-8-one
Basic Information
CAS
22743-05-1
Multi CAS
No
Molecular Formula
C20H12O7
Molecular Weight
364.300000
Exact Mass
364.058303
SMILES
C1C2=C(C3=CC4=C(C=C3C(=C2C(=O)O1)C5=CC6=C(C=C5)OCO6)OCO4)O
InChI
InChI=1S/C20H12O7/c21-19-11-5-16-15(26-8-27-16)4-10(11)17(18-12(19)6-23-20(18)22)9-1-2-13-14(3-9)25-7-24-13/h1-5,21H,6-8H2
InChIKey
YYFMUDJSHVYJGD-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
27
Aromatic heavy atom count
16
Fraction Csp3
0.15
Rotatable bonds
1
H-bond acceptors
7
H-bond donors
1
Molar refractivity
92.41
TPSA
83.45
LogP / Solubility
WLOGP
3.34
MLOGP
2.96
XLogP3
3.5
Consensus LogP
3.27
Log S (ESOL)
-4.58
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.96
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.92
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.57
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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