CAS RN: 150749-32-9
1-Ethyl-7-methoxy-1,2,3,4-tetrahydroquinoline
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.20250507 | 5g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS150749-32-9
- Purity/Analytical Methods: >99.0%
150749-32-9 / 1-ethyl-7-methoxy-3,4-dihydro-2H-quinoline
Basic Information
CAS
150749-32-9
Multi CAS
No
Molecular Formula
C12H17NO
Molecular Weight
191.270000
Exact Mass
191.131014
SMILES
CCN1CCCC2=C1C=C(C=C2)OC
InChI
InChI=1S/C12H17NO/c1-3-13-8-4-5-10-6-7-11(14-2)9-12(10)13/h6-7,9H,3-5,8H2,1-2H3
InChIKey
MXTVDFNJBCVQDR-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
59.2
TPSA
12.47
LogP / Solubility
WLOGP
2.47
MLOGP
2.17
XLogP3
2.8
Consensus LogP
2.48
Log S (ESOL)
-2.77
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.91
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.19
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
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)
-2.13
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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