CAS RN: 5751-17-7
2-(methylsulfanyl)-6-propyl-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.20260118 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS5751-17-7
- Purity/Analytical Methods: >99.0%
5751-17-7 / 2-methylsulfanyl-4-propyl-1H-pyrimidin-6-one
Basic Information
CAS
5751-17-7
Multi CAS
Yes
Molecular Formula
C8H12N2OS
Molecular Weight
184.260000
Exact Mass
184.067034
InChI
InChI=1S/C8H12N2OS/c1-3-4-6-5-7(11)10-8(9-6)12-2/h5H,3-4H2,1-2H3,(H,9,10,11)
InChIKey
ICULGBASIPYTCI-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
50.63
TPSA
45.75
LogP / Solubility
WLOGP
1.44
MLOGP
1.27
XLogP3
1.4
Consensus LogP
1.37
Log S (ESOL)
-2.06
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.11
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.42
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)
-2.82
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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