CAS RN: 133-04-0
ASARININ
Product Availability
Choose a grade to view its available package options.
11 package records7 with current stock3 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260313 | 1ml | In stock | Inquiry |
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260118 | 100mg | Out of stock | Inquiry | |
| Batchno.20250222 | 10mg | Out of stock | Inquiry | |
| Batchno.20250221 | 1mg | In stock | Shanghai | Inquiry |
| Batchno.20250718 | 250mg | Out of stock | Inquiry | |
| Batchno.20250613 | 25mg | In stock | Shanghai | Inquiry |
| Batchno.20260516 | 50mg | Out of stock | Inquiry | |
| Batchno.20260118 | 5mg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS133-04-0
- Purity/Analytical Methods: >99.0%
133-04-0 / 5-[(3R,3aR,6S,6aR)-3-(1,3-benzodioxol-5-yl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-6-yl]-1,3-benzodioxole
Basic Information
CAS
133-04-0
Multi CAS
No
Molecular Formula
C20H18O6
Molecular Weight
354.400000
Exact Mass
354.110338
SMILES
C1[C@H]2[C@H](CO[C@@H]2C3=CC4=C(C=C3)OCO4)[C@@H](O1)C5=CC6=C(C=C5)OCO6
InChI
InChI=1S/C20H18O6/c1-3-15-17(25-9-23-15)5-11(1)19-13-7-22-20(14(13)8-21-19)12-2-4-16-18(6-12)26-10-24-16/h1-6,13-14,19-20H,7-10H2/t13-,14-,19-,20+/m0/s1
InChIKey
PEYUIKBAABKQKQ-WZBLMQSHSA-N
Computed Properties
Structural Parameters
Heavy atom count
26
Aromatic heavy atom count
12
Fraction Csp3
0.4
Rotatable bonds
2
H-bond acceptors
6
Molar refractivity
89.5
TPSA
55.38
LogP / Solubility
WLOGP
3.22
MLOGP
2.85
XLogP3
2.7
Consensus LogP
2.92
Log S (ESOL)
-4.27
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.79
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.88
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
Yes
Log Kp (skin permeation)
-2.6
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
6
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