![CAS 2454397-75-0 Pyrido[4,3-d]pyrimidine-2,4(1H,3H)-dione, 7-chloro-8-fluoro- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2454397-75-0.gif)
CAS RN: 2454397-75-0
Pyrido[4,3-d]pyrimidine-2,4(1H,3H)-dione, 7-chloro-8-fluoro-
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250711 | 250mg / 1g / 5g / 25g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: SSC-119253
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: 1g, 5g, 10g, 25g, 0.25g, 100g, 500g
- Available purity: ≥97%
- 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 |
|---|---|---|---|---|
| 1g | ≥97% | 5 In Stock | Beijing | Inquiry |
| 5g | ≥97% | 5 In Stock | Shanghai | Inquiry |
| 10g | ≥97% | 5 In Stock | Beijing | Inquiry |
| 25g | ≥97% | 5 In Stock | Beijing | Inquiry |
| 0.25g | ≥97% | 2 In Stock | Beijing | Inquiry |
| 100g | ≥97% | 2 In Stock | Shanghai | Inquiry |
| 500g | ≥97% | 0 Out of Stock | Shenzhen | Inquiry |
2454397-75-0 / 7-chloro-8-fluoro-1H-pyrido[4,3-d]pyrimidine-2,4-dione
Basic Information
CAS
2454397-75-0
Multi CAS
No
Molecular Formula
C7H3ClFN3O2
Molecular Weight
215.570000
Exact Mass
214.989782
SMILES
C1=C2C(=C(C(=N1)Cl)F)NC(=O)NC2=O
InChI
InChI=1S/C7H3ClFN3O2/c8-5-3(9)4-2(1-10-5)6(13)12-7(14)11-4/h1H,(H2,11,12,13,14)
InChIKey
UQERDTKJRJNCHD-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
10
H-bond acceptors
3
H-bond donors
2
Molar refractivity
47.95
TPSA
78.61
LogP / Solubility
WLOGP
0.4
MLOGP
0.36
XLogP3
0.4
Consensus LogP
0.39
Log S (ESOL)
-1.96
Class (ESOL)
Soluble
Log S (Ali)
-1.62
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.4
Class (SILICOS-IT)
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)
-3.75
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 2454397-98-7 3,8-Diazabicyclo[3.2.1]octane-8-carboxylic acid, 3-(2,7-dichloro-8-fluoropyrido[4,3-d]pyrimidin-4-yl)-, 1,1-dimethylethyl ester molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2454397-98-7.gif)
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