CAS RN: 205989-12-4
Luotonine A
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260629 | 1mg / 5mg / 25mg | Confirm by inquiry | Shandong | Inquiry |
- Product code: starshine_CAS205989-12-4
- Purity/Analytical Methods: >99.0%
205989-12-4 / 3,11,21-triazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,13,15,17,19-nonaen-10-one
Basic Information
CAS
205989-12-4
Multi CAS
No
Molecular Formula
C18H11N3O
Molecular Weight
285.300000
Exact Mass
285.090212
SMILES
C1C2=CC3=CC=CC=C3N=C2C4=NC5=CC=CC=C5C(=O)N41
InChI
InChI=1S/C18H11N3O/c22-18-13-6-2-4-8-15(13)20-17-16-12(10-21(17)18)9-11-5-1-3-7-14(11)19-16/h1-9H,10H2
InChIKey
LUMDXNLBIYLTER-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
22
Aromatic heavy atom count
20
Fraction Csp3
0.06
H-bond acceptors
4
Molar refractivity
85.84
TPSA
47.78
LogP / Solubility
WLOGP
2.97
MLOGP
2.63
XLogP3
2.7
Consensus LogP
2.77
Log S (ESOL)
-4.15
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.05
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-3.98
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.35
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3.5
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