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CAS 66233-86-1 7-(aMinoMethyl)-5-chloroquinolin-8-ol dihydrochloride molecular structure lightbox
CAS RN: 66233-86-1

7-(aMinoMethyl)-5-chloroquinolin-8-ol dihydrochloride

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260422 50mg In stock Shanghai Inquiry
  • Product code: starshine_CAS66233-86-1
  • Purity/Analytical Methods: >99.0%
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66233-86-1 / 7-(aminomethyl)-5-chloroquinolin-8-ol;dihydrochloride

Standard CAS: 66233-86-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
66233-86-1
Multi CAS
No
Molecular Formula
C10H11CL3N2O
Molecular Weight
281.600000
Exact Mass
279.993696
InChI
InChI=1S/C10H9ClN2O.2ClH/c11-8-4-6(5-12)10(14)9-7(8)2-1-3-13-9;;/h1-4,14H,5,12H2;2*1H
InChIKey
RPQRZEDKTZLEEN-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
10
Fraction Csp3
0.1
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
2
Molar refractivity
70.81
TPSA
59.14

LogP / Solubility

WLOGP
2.9
MLOGP
2.56
XLogP3
2.9
Consensus LogP
2.79
Log S (ESOL)
-3.81
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.96
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.01
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.38

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5

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