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CAS 62484-22-4 2,4(1H,3H)-Quinazolinedione, 8-chloro- molecular structure lightbox
CAS RN: 62484-22-4

2,4(1H,3H)-Quinazolinedione, 8-chloro-

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250224 100mg / 250mg / 1g / 5g Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS62484-22-4
  • Purity/Analytical Methods: >99.0%
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62484-22-4 / 8-chloro-1H-quinazoline-2,4-dione

Standard CAS: 62484-22-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
62484-22-4
Multi CAS
Yes
Molecular Formula
C8H5CLN2O2
Molecular Weight
196.590000
Exact Mass
196.003955
InChI
InChI=1S/C8H5ClN2O2/c9-5-3-1-2-4-6(5)10-8(13)11-7(4)12/h1-3H,(H2,10,11,12,13)
InChIKey
AKXWCWNEEZHWFL-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
10
H-bond acceptors
2
H-bond donors
2
Molar refractivity
50.2
TPSA
65.72

LogP / Solubility

WLOGP
0.87
MLOGP
0.77
XLogP3
1.4
Consensus LogP
1.01
Log S (ESOL)
-2.18
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.8
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.66
Class (SILICOS-IT)
Soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.3

Drug-likeness / Medicinal Chemistry

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

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