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CAS 205448-32-4 4-chloro-6-(Methyloxy)-7-{[3-(4-Morpholinyl)propyl]oxy}quinoline molecular structure lightbox
CAS RN: 205448-32-4

4-chloro-6-(Methyloxy)-7-{[3-(4-Morpholinyl)propyl]oxy}quinoline

Product Availability

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4 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250524 100mg Out of stock Inquiry
Batchno.20250728 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
Batchno.20250803 1g In stock Shanghai, Chengdu Inquiry
Batchno.20250413 250mg Out of stock Inquiry
  • Product code: starshine_CAS205448-32-4
  • Purity/Analytical Methods: >99.0%
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205448-32-4 / 4-[3-(4-chloro-6-methoxyquinolin-7-yl)oxypropyl]morpholine

Standard CAS: 205448-32-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
205448-32-4
Multi CAS
No
Molecular Formula
C17H21ClN2O3
Molecular Weight
336.800000
Exact Mass
336.124070
SMILES
COC1=CC2=C(C=CN=C2C=C1OCCCN3CCOCC3)Cl
InChI
InChI=1S/C17H21ClN2O3/c1-21-16-11-13-14(18)3-4-19-15(13)12-17(16)23-8-2-5-20-6-9-22-10-7-20/h3-4,11-12H,2,5-10H2,1H3
InChIKey
NNBAWPGQHJMVCK-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
23
Aromatic heavy atom count
10
Fraction Csp3
0.47
Rotatable bonds
6
H-bond acceptors
5
Molar refractivity
90.68
TPSA
43.82

LogP / Solubility

WLOGP
3
MLOGP
2.65
XLogP3
2.8
Consensus LogP
2.82
Log S (ESOL)
-3.74
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.49
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.06
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.65

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2.5

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