CAS RN: 61221-41-8
Oxylycorine
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Inquiry |
|---|---|---|---|
| Batchno.20250916 | 10mg | Out of stock | Inquiry |
- Product code: starshine_CAS61221-41-8
- Purity/Analytical Methods: >99.0%
61221-41-8 / 5,7-dioxa-12-azoniapentacyclo[10.6.1.02,10.04,8.015,19]nonadeca-1(18),2,4(8),9,11,15(19),16-heptaen-17-ol acetate
Basic Information
CAS
61221-41-8
Multi CAS
Yes
Molecular Formula
C18H15NO5
Molecular Weight
325.300000
Exact Mass
325.095023
InChI
InChI=1S/C16H11NO3.C2H4O2/c18-11-3-9-1-2-17-7-10-4-14-15(20-8-19-14)6-12(10)13(5-11)16(9)17;1-2(3)4/h3-7H,1-2,8H2;1H3,(H,3,4)
InChIKey
HKIJKEFVQKXWGW-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
24
Aromatic heavy atom count
14
Fraction Csp3
0.22
H-bond acceptors
5
H-bond donors
1
Molar refractivity
83.82
TPSA
82.7
LogP / Solubility
WLOGP
1.03
MLOGP
0.92
XLogP3
1.03
Consensus LogP
0.99
Log S (ESOL)
-2.94
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.97
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.63
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.98
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
3.5
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