CAS RN: 23903-65-3
5-allylpyrimidine-4,6(1H,5H)-dione
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260622 | 5g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS23903-65-3
- Purity/Analytical Methods: >99.0%
23903-65-3 / 4-hydroxy-5-prop-2-enyl-1H-pyrimidin-6-one
Basic Information
CAS
23903-65-3
Multi CAS
No
Molecular Formula
C7H8N2O2
Molecular Weight
152.150000
Exact Mass
152.058578
SMILES
C=CCC1=C(N=CNC1=O)O
InChI
InChI=1S/C7H8N2O2/c1-2-3-5-6(10)8-4-9-7(5)11/h2,4H,1,3H2,(H2,8,9,10,11)
InChIKey
QWYRCXSPNDGEAQ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.14
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
2
Molar refractivity
40.42
TPSA
65.98
LogP / Solubility
WLOGP
0.2
MLOGP
0.17
XLogP3
0.2
Consensus LogP
0.19
Log S (ESOL)
-1.18
Class (ESOL)
Soluble
Log S (Ali)
-0.95
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-1.06
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)
-3.5
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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