![CAS 846036-77-9 4-METHYL-2-(METHYLSULFANYL)-7H,8H-PYRIDO[2,3-D]PYRIMIDIN-7-ONE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/846036-77-9.gif)
CAS RN: 846036-77-9
4-METHYL-2-(METHYLSULFANYL)-7H,8H-PYRIDO[2,3-D]PYRIMIDIN-7-ONE
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.20251230 | 100mg | Out of stock | 1 business days | Inquiry |
- Product code: SSC-192186
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: 0.25g
- 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 |
|---|---|---|---|---|
| 0.25g | ≥95% | 0 Out of Stock | Shenzhen | Inquiry |
846036-77-9 / 4-methyl-2-methylsulfanyl-8H-pyrido[2,3-d]pyrimidin-7-one
Basic Information
CAS
846036-77-9
Multi CAS
Yes
Molecular Formula
C9H9N3OS
Molecular Weight
207.250000
Exact Mass
207.046633
InChI
InChI=1S/C9H9N3OS/c1-5-6-3-4-7(13)11-8(6)12-9(10-5)14-2/h3-4H,1-2H3,(H,10,11,12,13)
InChIKey
QELLOHDXPWBISF-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
10
Fraction Csp3
0.22
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
56.68
TPSA
58.64
LogP / Solubility
WLOGP
1.35
MLOGP
1.19
XLogP3
1.2
Consensus LogP
1.25
Log S (ESOL)
-2.44
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.23
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.25
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)
-3.03
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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