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CAS 52570-39-5 5-methylquinazoline-2,4(1H,3H)-dione molecular structure lightbox
CAS RN: 52570-39-5

5-methylquinazoline-2,4(1H,3H)-dione

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260126 250mg / 1g / 5g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS52570-39-5
  • Purity/Analytical Methods: >99.0%
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52570-39-5 / 5-methyl-1H-quinazoline-2,4-dione

Standard CAS: 52570-39-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
52570-39-5
Multi CAS
Yes
Molecular Formula
C9H8N2O2
Molecular Weight
176.170000
Exact Mass
176.058578
InChI
InChI=1S/C9H8N2O2/c1-5-3-2-4-6-7(5)8(12)11-9(13)10-6/h2-4H,1H3,(H2,10,11,12,13)
InChIKey
OVLVVBLYTQYCCS-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
10
Fraction Csp3
0.11
H-bond acceptors
2
H-bond donors
2
Molar refractivity
49.93
TPSA
65.72

LogP / Solubility

WLOGP
0.52
MLOGP
0.46
XLogP3
0.8
Consensus LogP
0.59
Log S (ESOL)
-1.83
Class (ESOL)
Soluble
Log S (Ali)
-1.38
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.24
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)
-3.42

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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