CAS RN: 203935-39-1
Helioxanthin derivative 5-4-2
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.20250516 | 2mg / 5mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS203935-39-1
- Purity/Analytical Methods: >99.0%
203935-39-1 / 10-(1,3-benzodioxol-5-yl)-8,9-dihydro-[1,3]benzodioxolo[7,6-f]isoindol-7-one
Basic Information
CAS
203935-39-1
Multi CAS
No
Molecular Formula
C20H13NO5
Molecular Weight
347.300000
Exact Mass
347.079373
SMILES
C1C2=C(C=C3C=CC4=C(C3=C2C5=CC6=C(C=C5)OCO6)OCO4)C(=O)N1
InChI
InChI=1S/C20H13NO5/c22-20-12-5-10-2-4-15-19(26-9-24-15)18(10)17(13(12)7-21-20)11-1-3-14-16(6-11)25-8-23-14/h1-6H,7-9H2,(H,21,22)
InChIKey
UVKXTQRJKHBAMT-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
5
H-bond donors
1
Molar refractivity
92.8
TPSA
66.02
LogP / Solubility
WLOGP
3.21
MLOGP
2.84
XLogP3
3.3
Consensus LogP
3.12
Log S (ESOL)
-4.4
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.72
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.7
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.56
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
4
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