![CAS 2763157-90-8 Pyrido[4,3-d]pyrimidin-4(3H)-one, 5,7-dichloro-8-fluoro-2-(methylthio)- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2763157-90-8.gif)
CAS RN: 2763157-90-8
Pyrido[4,3-d]pyrimidin-4(3H)-one, 5,7-dichloro-8-fluoro-2-(methylthio)-
- Product code: SSC-127610
Verified Factory Data
Supply Overview & Packaging Options
Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.
- Pack sizes on record: 0.25g, 1g, 5g, 10g, 25g, 100g
- Available purity: >95%
- Inventory rows with stock: 6
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 0.25g | >95% | 5 In Stock | Shenzhen | Inquiry |
| 1g | >95% | 5 In Stock | Shanghai | Inquiry |
| 5g | >95% | 5 In Stock | Shenzhen | Inquiry |
| 10g | >95% | 5 In Stock | Beijing | Inquiry |
| 25g | >95% | 5 In Stock | Shenzhen | Inquiry |
| 100g | >95% | 5 In Stock | Hong Kong | Inquiry |
2763157-90-8 / 5,7-dichloro-8-fluoro-2-methylsulfanyl-3H-pyrido[4,3-d]pyrimidin-4-one
Basic Information
CAS
2763157-90-8
Multi CAS
Yes
Molecular Formula
C8H4CL2FN3OS
Molecular Weight
280.110000
Exact Mass
278.943617
InChI
InChI=1S/C8H4Cl2FN3OS/c1-16-8-12-4-2(7(15)14-8)5(9)13-6(10)3(4)11/h1H3,(H,12,14,15)
InChIKey
UVUILCJJGCRSNW-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
10
Fraction Csp3
0.12
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
61.92
TPSA
58.64
LogP / Solubility
WLOGP
2.49
MLOGP
2.2
XLogP3
2.6
Consensus LogP
2.43
Log S (ESOL)
-3.54
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.65
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.66
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)
-2.66
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5
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