CAS RN: 25855-26-9
1-ALLYLPYRIMIDINE-2,4(1H,3H)-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.20251217 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS25855-26-9
- Purity/Analytical Methods: >99.0%
25855-26-9 / 1-prop-2-enylpyrimidine-2,4-dione
Basic Information
CAS
25855-26-9
Multi CAS
No
Molecular Formula
C7H8N2O2
Molecular Weight
152.150000
Exact Mass
152.058578
SMILES
C=CCN1C=CC(=O)NC1=O
InChI
InChI=1S/C7H8N2O2/c1-2-4-9-5-3-6(10)8-7(9)11/h2-3,5H,1,4H2,(H,8,10,11)
InChIKey
NDDLIGBQLZCCIZ-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
1
Molar refractivity
41.52
TPSA
54.86
LogP / Solubility
WLOGP
-0.28
MLOGP
-0.25
XLogP3
-0.1
Consensus LogP
-0.21
Log S (ESOL)
-0.88
Class (ESOL)
Very soluble
Log S (Ali)
-0.61
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.66
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)
-3.85
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
Customers Also Viewed
-
-
3-Butenoic acid, 3-Methyl-, Methyl ester
- CAS RN: 25859-52-3
- Product Code: starshine_CAS25859-52-3
- Purity/Analytical method: >99.0%
-
-
Liensinine
- CAS RN: 2586-96-1
- Product Code: starshine_CAS2586-96-1
- Purity/Analytical method: >99.0%
-
-
(2E)-1-(4-aminophenyl)-3-(4-methoxyphenyl)prop-2-en-1-one
- CAS RN: 25870-73-9
- Product Code: starshine_CAS25870-73-9
- Purity/Analytical method: >99.0%
