CAS RN: 477-47-4
(-)PPP
Product Availability
Choose a grade to view its available package options.
7 package records6 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250521 | 100mg | In stock | Shanghai, Chengdu | Inquiry | |
| Batchno.20260131 | 10mg | In stock | Shanghai | Inquiry | |
| Batchno.20251008 | 1g | In stock | Shanghai | Inquiry | |
| Batchno.20250513 | 1mg | In stock | Shanghai | Inquiry | |
| Batchno.20260622 | 250mg | In stock | Shanghai | Inquiry | |
| Batchno.20250923 | 50mg | In stock | Shanghai, Tianjin | Inquiry |
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250119 | 10mg / 50mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS477-47-4
- Purity/Analytical Methods: >99.0%
477-47-4 / 5-hydroxy-9-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-8-one
Basic Information
CAS
477-47-4
Multi CAS
Yes
Molecular Formula
C22H22O8
Molecular Weight
414.400000
Exact Mass
414.131468
InChI
InChI=1S/C22H22O8/c1-25-16-4-10(5-17(26-2)21(16)27-3)18-11-6-14-15(30-9-29-14)7-12(11)20(23)13-8-28-22(24)19(13)18/h4-7,13,18-20,23H,8-9H2,1-3H3
InChIKey
YJGVMLPVUAXIQN-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
30
Aromatic heavy atom count
12
Fraction Csp3
0.41
Rotatable bonds
4
H-bond acceptors
8
H-bond donors
1
Molar refractivity
103.4
TPSA
92.68
LogP / Solubility
WLOGP
2.41
MLOGP
2.15
XLogP3
2
Consensus LogP
2.19
Log S (ESOL)
-3.96
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.7
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.83
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
No
Log Kp (skin permeation)
-3.54
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
5.5
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![CAS 477-82-7 11-Methoxy-5-methyl-1,3-dioxolo[4,5-b]acridin-10(5H)-one molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/477-82-7.gif)
