CAS RN: 28342-33-8
6-Oxochelerythrine
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.20250509 | 1mg | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS28342-33-8
- Purity/Analytical Methods: >99.0%
28342-33-8 / 1,2-dimethoxy-12-methyl-[1,3]benzodioxolo[5,6-c]phenanthridin-13-one
Basic Information
CAS
28342-33-8
Multi CAS
No
Molecular Formula
C21H17NO5
Molecular Weight
363.400000
Exact Mass
363.110673
InChI
InChI=1S/C21H17NO5/c1-22-19-13(5-4-11-8-16-17(9-14(11)19)27-10-26-16)12-6-7-15(24-2)20(25-3)18(12)21(22)23/h4-9H,10H2,1-3H3
InChIKey
IHTXRYTWDARUKX-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
27
Aromatic heavy atom count
18
Fraction Csp3
0.19
Rotatable bonds
2
H-bond acceptors
6
Molar refractivity
103.43
TPSA
58.92
LogP / Solubility
WLOGP
3.59
MLOGP
3.18
XLogP3
3.6
Consensus LogP
3.46
Log S (ESOL)
-4.72
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.13
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.24
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)
-2.39
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3.5
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