CAS RN: 1443120-51-1
4-(2-Chloroethoxy)-2-(4-propoxyphenyl)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.20260531 | 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1443120-51-1
- Purity/Analytical Methods: >99.0%
1443120-51-1 / 4-(2-chloroethoxy)-2-(4-propoxyphenyl)quinoline
Basic Information
CAS
1443120-51-1
Multi CAS
No
Molecular Formula
C20H20ClNO2
Molecular Weight
341.800000
Exact Mass
341.118257
SMILES
CCCOC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)OCCCl
InChI
InChI=1S/C20H20ClNO2/c1-2-12-23-16-9-7-15(8-10-16)19-14-20(24-13-11-21)17-5-3-4-6-18(17)22-19/h3-10,14H,2,11-13H2,1H3
InChIKey
YBDRBYJEOKJUNM-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
24
Aromatic heavy atom count
16
Fraction Csp3
0.25
Rotatable bonds
7
H-bond acceptors
3
Molar refractivity
99.18
TPSA
31.35
LogP / Solubility
WLOGP
5.31
MLOGP
4.69
XLogP3
5.5
Consensus LogP
5.17
Log S (ESOL)
-5.33
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.2
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.13
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.04
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
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