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CAS 36803-40-4 2,4(1H,3H)-Pyrimidinedione, 6-ethenyl- (9CI) molecular structure lightbox
CAS RN: 36803-40-4

2,4(1H,3H)-Pyrimidinedione, 6-ethenyl- (9CI)

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250611 250mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS36803-40-4
  • Purity/Analytical Methods: >99.0%
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36803-40-4 / 6-ethenyl-1H-pyrimidine-2,4-dione

Standard CAS: 36803-40-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
36803-40-4
Multi CAS
Yes
Molecular Formula
C6H6N2O2
Molecular Weight
138.120000
Exact Mass
138.042927
InChI
InChI=1S/C6H6N2O2/c1-2-4-3-5(9)8-6(10)7-4/h2-3H,1H2,(H2,7,8,9,10)
InChIKey
SCRKKOBQJOUIRD-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
37.77
TPSA
65.72

LogP / Solubility

WLOGP
-0.29
MLOGP
-0.27
XLogP3
-0.4
Consensus LogP
-0.32
Log S (ESOL)
-0.89
Class (ESOL)
Very soluble
Log S (Ali)
-0.48
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.43
Class (SILICOS-IT)
Very 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)
-3.77

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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