![CAS 1578245-95-0 8-chloro-2-(methylthio)pyrido[3,4-d]pyrimidine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1578245-95-0.gif)
CAS RN: 1578245-95-0
8-chloro-2-(methylthio)pyrido[3,4-d]pyrimidine
Product Availability
Choose a grade to view its available package options.
4 package records3 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20260303 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: SSC-066563
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 | Beijing | Inquiry |
1578245-95-0 / 8-chloro-2-methylsulfanylpyrido[3,4-d]pyrimidine
Basic Information
CAS
1578245-95-0
Multi CAS
No
Molecular Formula
C8H6ClN3S
Molecular Weight
211.670000
Exact Mass
210.997096
SMILES
CSC1=NC=C2C=CN=C(C2=N1)Cl
InChI
InChI=1S/C8H6ClN3S/c1-13-8-11-4-5-2-3-10-7(9)6(5)12-8/h2-4H,1H3
InChIKey
QMICGHGYKZQSQO-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
Molar refractivity
54.12
TPSA
38.67
LogP / Solubility
WLOGP
2.4
MLOGP
2.11
XLogP3
2.3
Consensus LogP
2.27
Log S (ESOL)
-3.17
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.03
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.15
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.31
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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![CAS 1578246-23-7 8-Chloro-6-methyl-2-(methylthio)pyrido[3,4-d]pyrimidine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1578246-23-7.gif)
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