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CAS 523990-83-2 3-ETHYL-2,4-DIOXO-1,2,3,4-TETRAHYDRO-QUINAZOLINE-7-CARBOXYLIC ACID molecular structure lightbox
CAS RN: 523990-83-2

3-ETHYL-2,4-DIOXO-1,2,3,4-TETRAHYDRO-QUINAZOLINE-7-CARBOXYLIC ACID

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251022 100mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS523990-83-2
  • Purity/Analytical Methods: >99.0%
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523990-83-2 / 3-ethyl-2,4-dioxo-1H-quinazoline-7-carboxylic acid

Standard CAS: 523990-83-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
523990-83-2
Multi CAS
Yes
Molecular Formula
C11H10N2O4
Molecular Weight
234.210000
Exact Mass
234.064057
InChI
InChI=1S/C11H10N2O4/c1-2-13-9(14)7-4-3-6(10(15)16)5-8(7)12-11(13)17/h3-5H,2H2,1H3,(H,12,17)(H,15,16)
InChIKey
OHJOFBNVZGMMRO-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
10
Fraction Csp3
0.18
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
2
Molar refractivity
61.46
TPSA
92.16

LogP / Solubility

WLOGP
0.41
MLOGP
0.36
XLogP3
0.5
Consensus LogP
0.42
Log S (ESOL)
-1.85
Class (ESOL)
Soluble
Log S (Ali)
-1.78
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.76
Class (SILICOS-IT)
Soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.86

Drug-likeness / Medicinal Chemistry

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

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