CAS RN: 637354-25-7
2-(Methylsulfonyl)-4-(pyridin-3-yl) pyriMidine
- Product code: SSC-173501
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: ≥95%
- 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 | ≥95% | 0 Out of Stock | Hong Kong | Inquiry |
637354-25-7 / 2-methylsulfonyl-4-pyridin-3-ylpyrimidine
Basic Information
CAS
637354-25-7
Multi CAS
No
Molecular Formula
C10H9N3O2S
Molecular Weight
235.260000
Exact Mass
235.041548
InChI
InChI=1S/C10H9N3O2S/c1-16(14,15)10-12-6-4-9(13-10)8-3-2-5-11-7-8/h2-7H,1H3
InChIKey
YOORFANBYYVNMQ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
12
Fraction Csp3
0.1
Rotatable bonds
2
H-bond acceptors
5
Molar refractivity
58.37
TPSA
72.81
LogP / Solubility
WLOGP
0.94
MLOGP
0.83
XLogP3
0.4
Consensus LogP
0.72
Log S (ESOL)
-2.32
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.17
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.21
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)
-3.49
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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![CAS 637362-21-1 TERT-BUTYL 5-CHLOROSPIRO[INDOLINE-3,4′-PIPERIDINE]-1′-CARBOXYLATE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/637362-21-1.gif)
