CAS RN: 20651-30-3
4(3H)-Pyrimidinone, 5-methyl-2-(methylthio)-
- Product code: SSC-097299
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 1g
- Available purity: ＞97%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ＞97% | 0 Out of Stock | Shenzhen | Inquiry |
20651-30-3 / 5-methyl-2-methylsulfanyl-1H-pyrimidin-6-one
Basic Information
CAS
20651-30-3
Multi CAS
No
Molecular Formula
C6H8N2OS
Molecular Weight
156.210000
Exact Mass
156.035734
SMILES
CC1=CN=C(NC1=O)SC
InChI
InChI=1S/C6H8N2OS/c1-4-3-7-6(10-2)8-5(4)9/h3H,1-2H3,(H,7,8,9)
InChIKey
TVPRITKRWWSQFW-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
41.38
TPSA
45.75
LogP / Solubility
WLOGP
0.8
MLOGP
0.7
XLogP3
0.6
Consensus LogP
0.7
Log S (ESOL)
-1.69
Class (ESOL)
Soluble
Log S (Ali)
-1.42
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.46
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)
-3.1
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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METHYL 5-METHYL-3-PHENYL-4-ISOXAZOLECARBOXYLATE
- CAS RN: 2065-28-3
- Product Code: SSC-097291
