CAS RN: 6519-26-2
(16R)-Dihydrositsirikine
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.20250912 | 1mg | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS6519-26-2
- Purity/Analytical Methods: >99.0%
6519-26-2 / methyl 2-(3-ethyl-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizin-2-yl)-3-hydroxypropanoate
Basic Information
CAS
6519-26-2
Multi CAS
Yes
Molecular Formula
C21H28N2O3
Molecular Weight
356.500000
Exact Mass
356.209993
InChI
InChI=1S/C21H28N2O3/c1-3-13-11-23-9-8-15-14-6-4-5-7-18(14)22-20(15)19(23)10-16(13)17(12-24)21(25)26-2/h4-7,13,16-17,19,22,24H,3,8-12H2,1-2H3/t13-,16-,17-,19-/m0/s1
InChIKey
UHOKSUGCIDKRQZ-UHEFJODHSA-N
Computed Properties
Structural Parameters
Heavy atom count
26
Aromatic heavy atom count
9
Fraction Csp3
0.57
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
2
Molar refractivity
100.8
TPSA
65.56
LogP / Solubility
WLOGP
2.89
MLOGP
2.57
XLogP3
2.7
Consensus LogP
2.72
Log S (ESOL)
-3.87
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.57
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.86
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
Yes
Log Kp (skin permeation)
-2.84
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Leadlikeness
No
Synthetic Accessibility
5
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