CAS RN: 876-87-9
2-METHYLQUINOLINE METHYL IODIDE
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.20260316 | 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS876-87-9
- Purity/Analytical Methods: >99.0%
876-87-9 / 1,2-dimethylquinolin-1-ium iodide
Basic Information
CAS
876-87-9
Multi CAS
Yes
Molecular Formula
C11H12In
Molecular Weight
285.120000
Exact Mass
285.001450
InChI
InChI=1S/C11H12N.HI/c1-9-7-8-10-5-3-4-6-11(10)12(9)2;/h3-8H,1-2H3;1H/q+1;/p-1
InChIKey
XXCFMHCLWHXDAV-UHFFFAOYSA-M
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
10
Fraction Csp3
0.18
H-bond acceptors
1
Molar refractivity
49.86
TPSA
3.88
LogP / Solubility
WLOGP
-1.02
MLOGP
-0.89
XLogP3
-1.02
Consensus LogP
-0.98
Log S (ESOL)
-1.53
Class (ESOL)
Soluble
Log S (Ali)
-1.16
Class (Ali)
Soluble
Log S (SILICOS-IT)
-0.66
Class (SILICOS-IT)
Very soluble
ADME
GI absorption
Low
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)
-5.19
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5
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