![CAS 211244-81-4 2-(Methylthio)pyrido[2,3-d]pyrimidin-7(8H)-one molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/211244-81-4.gif)
CAS RN: 211244-81-4
2-(Methylthio)pyrido[2,3-d]pyrimidin-7(8H)-one
Product Availability
Choose a grade to view its available package options.
3 package records3 with current stock1 grade group
- Product code: SSC-100822
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 |
211244-81-4 / 2-methylsulfanyl-8H-pyrido[2,3-d]pyrimidin-7-one
Basic Information
CAS
211244-81-4
Multi CAS
No
Molecular Formula
C8H7N3OS
Molecular Weight
193.230000
Exact Mass
193.030983
SMILES
CSC1=NC=C2C=CC(=O)NC2=N1
InChI
InChI=1S/C8H7N3OS/c1-13-8-9-4-5-2-3-6(12)10-7(5)11-8/h2-4H,1H3,(H,9,10,11,12)
InChIKey
WPUAPGRZGJOIBX-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
10
Fraction Csp3
0.12
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
51.94
TPSA
58.64
LogP / Solubility
WLOGP
1.04
MLOGP
0.91
XLogP3
0.8
Consensus LogP
0.92
Log S (ESOL)
-2.2
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.9
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.9
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)
-3.16
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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