CAS RN: 145783-12-6
6-HYDROXY-2-(PROPYLTHIO)-4(3H)-PYRIMIDINONE
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.20251013 | 50mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS145783-12-6
- Purity/Analytical Methods: >99.0%
145783-12-6 / 4-hydroxy-2-propylsulfanyl-1H-pyrimidin-6-one
Basic Information
CAS
145783-12-6
Multi CAS
No
Molecular Formula
C7H10N2O2S
Molecular Weight
186.230000
Exact Mass
186.046299
SMILES
CCCSC1=NC(=CC(=O)N1)O
InChI
InChI=1S/C7H10N2O2S/c1-2-3-12-7-8-5(10)4-6(11)9-7/h4H,2-3H2,1H3,(H2,8,9,10,11)
InChIKey
JNDANYQUROGPBP-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.43
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
2
Molar refractivity
47.54
TPSA
65.98
LogP / Solubility
WLOGP
0.98
MLOGP
0.86
XLogP3
1
Consensus LogP
0.95
Log S (ESOL)
-1.78
Class (ESOL)
Soluble
Log S (Ali)
-1.79
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.04
Class (SILICOS-IT)
Moderately 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)
-3.16
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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