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CAS 2217-26-7 3-Ethylquinazoline-2,4(1H,3H)-dione molecular structure lightbox
CAS RN: 2217-26-7

3-Ethylquinazoline-2,4(1H,3H)-dione

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260616 1g Out of stock 15 business days Inquiry
  • Product code: starshine_CAS2217-26-7
  • Purity/Analytical Methods: >99.0%
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2217-26-7 / 3-ethyl-1H-quinazoline-2,4-dione

Standard CAS: 2217-26-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2217-26-7
Multi CAS
No
Molecular Formula
C10H10N2O2
Molecular Weight
190.200000
Exact Mass
190.074228
SMILES
CCN1C(=O)C2=CC=CC=C2NC1=O
InChI
InChI=1S/C10H10N2O2/c1-2-12-9(13)7-5-3-4-6-8(7)11-10(12)14/h3-6H,2H2,1H3,(H,11,14)
InChIKey
LPMHWRUMVIPIGW-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
10
Fraction Csp3
0.2
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
54.5
TPSA
54.86

LogP / Solubility

WLOGP
0.71
MLOGP
0.62
XLogP3
1
Consensus LogP
0.78
Log S (ESOL)
-1.93
Class (ESOL)
Soluble
Log S (Ali)
-1.63
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.61
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)
-3.38

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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