CAS RN: 2739-92-6
PYRIDO(1,2-A)QUINOLINYLIUM, CHLORIDE
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.20251029 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS2739-92-6
- Purity/Analytical Methods: >99.0%
2739-92-6 / benzo[c]quinolizin-11-ium chloride
Basic Information
CAS
2739-92-6
Multi CAS
No
Molecular Formula
C13H10ClN
Molecular Weight
215.680000
Exact Mass
215.050177
InChI
InChI=1S/C13H10N.ClH/c1-2-7-13-11(5-1)8-9-12-6-3-4-10-14(12)13;/h1-10H;1H/q+1;/p-1
InChIKey
YYPVHTLHMYGGEY-UHFFFAOYSA-M
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
14
H-bond acceptors
1
Molar refractivity
57.11
TPSA
4.1
LogP / Solubility
WLOGP
-0.42
MLOGP
-0.37
XLogP3
-0.42
Consensus LogP
-0.4
Log S (ESOL)
-1.6
Class (ESOL)
Soluble
Log S (Ali)
-1.03
Class (Ali)
Soluble
Log S (SILICOS-IT)
-0.72
Class (SILICOS-IT)
Very soluble
ADME
GI absorption
Low
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.33
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
![CAS 27404-31-5 2-BENZO[B]FURAN-3-YLETHYLAMINE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/27404-31-5.gif)
