![CAS 259809-79-5 TERT-BUTYL 7,8-DIHYDRO-2-(METHYLSULFONYL)PYRIDO[4,3-D]PYRIMIDINE-6(5H)-CARBOXYLATE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/259809-79-5.gif)
CAS RN: 259809-79-5
TERT-BUTYL 7,8-DIHYDRO-2-(METHYLSULFONYL)PYRIDO[4,3-D]PYRIMIDINE-6(5H)-CARBOXYLATE
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.20260225 | 25mg / 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: SSC-122767
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 |
259809-79-5 / tert-butyl 2-methylsulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxylate
Basic Information
CAS
259809-79-5
Multi CAS
Yes
Molecular Formula
C13H19N3O4S
Molecular Weight
313.370000
Exact Mass
313.109627
InChI
InChI=1S/C13H19N3O4S/c1-13(2,3)20-12(17)16-6-5-10-9(8-16)7-14-11(15-10)21(4,18)19/h7H,5-6,8H2,1-4H3
InChIKey
XJOLEDYHJUZKPW-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
21
Aromatic heavy atom count
6
Fraction Csp3
0.62
Rotatable bonds
1
H-bond acceptors
6
Molar refractivity
75.49
TPSA
89.46
LogP / Solubility
WLOGP
1.17
MLOGP
1.05
XLogP3
0.5
Consensus LogP
0.91
Log S (ESOL)
-2.67
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.98
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.79
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.8
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2.5
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