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CAS 622792-20-5 5-chloro-7-[pyridin-2-yl(pyrrolidin-1-yl)methyl]quinolin-8-ol molecular structure lightbox
CAS RN: 622792-20-5

5-chloro-7-[pyridin-2-yl(pyrrolidin-1-yl)methyl]quinolin-8-ol

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250703 5mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS622792-20-5
  • Purity/Analytical Methods: >99.0%
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622792-20-5 / 5-chloro-7-[pyridin-2-yl(pyrrolidin-1-yl)methyl]quinolin-8-ol

Standard CAS: 622792-20-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
622792-20-5
Multi CAS
No
Molecular Formula
C19H18CLN3O
Molecular Weight
339.800000
Exact Mass
339.113840
InChI
InChI=1S/C19H18ClN3O/c20-15-12-14(19(24)17-13(15)6-5-9-22-17)18(23-10-3-4-11-23)16-7-1-2-8-21-16/h1-2,5-9,12,18,24H,3-4,10-11H2
InChIKey
QLPZJTVSRZEZHY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
24
Aromatic heavy atom count
16
Fraction Csp3
0.26
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
1
Molar refractivity
95.3
TPSA
49.25

LogP / Solubility

WLOGP
4.17
MLOGP
3.69
XLogP3
3.4
Consensus LogP
3.75
Log S (ESOL)
-4.87
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.36
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.69
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.83

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Leadlikeness
No
Synthetic Accessibility
3.5

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