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CAS 5424-37-3 1,3-bis(4-amino-2-methyl-6-quinolyl)urea dihydrochloride molecular structure lightbox
CAS RN: 5424-37-3

1,3-bis(4-amino-2-methyl-6-quinolyl)urea dihydrochloride

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260320 1mg / 5mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS5424-37-3
  • Purity/Analytical Methods: >99.0%
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5424-37-3 / 1,3-bis(4-amino-2-methylquinolin-6-yl)urea;dihydrochloride

Standard CAS: 5424-37-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
5424-37-3
Multi CAS
Yes
Molecular Formula
C21H22CL2N6O
Molecular Weight
445.300000
Exact Mass
444.123215
InChI
InChI=1S/C21H20N6O.2ClH/c1-11-7-17(22)15-9-13(3-5-19(15)24-11)26-21(28)27-14-4-6-20-16(10-14)18(23)8-12(2)25-20;;/h3-10H,1-2H3,(H2,22,24)(H2,23,25)(H2,26,27,28);2*1H
InChIKey
GKQYGRWQCWWSHN-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
30
Aromatic heavy atom count
20
Fraction Csp3
0.1
Rotatable bonds
2
H-bond acceptors
5
H-bond donors
4
Molar refractivity
128.92
TPSA
118.95

LogP / Solubility

WLOGP
5.05
MLOGP
4.48
XLogP3
5.05
Consensus LogP
4.86
Log S (ESOL)
-6.15
Class (ESOL)
Insoluble
Log S (Ali)
-6.86
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.99
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.85

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3

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