CAS RN: 22989-38-4
2-(CHLOROMETHYL)-6-METHYL QUINOLINE
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.20251120 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS22989-38-4
- Purity/Analytical Methods: >99.0%
22989-38-4 / 2-(chloromethyl)-6-methylquinoline
Basic Information
CAS
22989-38-4
Multi CAS
No
Molecular Formula
C11H10ClN
Molecular Weight
191.650000
Exact Mass
191.050177
SMILES
CC1=CC2=C(C=C1)N=C(C=C2)CCl
InChI
InChI=1S/C11H10ClN/c1-8-2-5-11-9(6-8)3-4-10(7-12)13-11/h2-6H,7H2,1H3
InChIKey
CSLGYHQUXRUXPX-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
10
Fraction Csp3
0.18
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
56.04
TPSA
12.89
LogP / Solubility
WLOGP
3.28
MLOGP
2.89
XLogP3
3
Consensus LogP
3.06
Log S (ESOL)
-3.6
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.5
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.75
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.56
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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