![CAS 2454396-80-4 Pyrido[4,3-d]pyrimidine, 2,4,7-trichloro-8-fluoro- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2454396-80-4.gif)
CAS RN: 2454396-80-4
Pyrido[4,3-d]pyrimidine, 2,4,7-trichloro-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 | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250726 | 100mg / 250mg / 1g / 5g / 25g / 100g | Confirm by inquiry | Shanghai | 8-10 business days | Inquiry |
- Product code: SSC-119248
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, 100g, 0.1g, 0.25g, 25g
- Available purity: >98%
- Inventory rows with stock: 7
- 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 | >98% | 5 In Stock | Shanghai | Inquiry |
| 5g | >98% | 5 In Stock | Shenzhen | Inquiry |
| 10g | >98% | 5 In Stock | Hong Kong | Inquiry |
| 100g | >98% | 2 In Stock | Beijing | Inquiry |
| 0.1g | >98% | 1 In Stock | Hong Kong | Inquiry |
| 0.25g | >98% | 1 In Stock | Shenzhen | Inquiry |
| 25g | >98% | 1 In Stock | Shanghai | Inquiry |
2454396-80-4 / 2,4,7-trichloro-8-fluoropyrido[4,3-d]pyrimidine
Basic Information
CAS
2454396-80-4
Multi CAS
No
Molecular Formula
C7HCl3FN3
Molecular Weight
252.500000
Exact Mass
250.922008
SMILES
C1=C2C(=C(C(=N1)Cl)F)N=C(N=C2Cl)Cl
InChI
InChI=1S/C7HCl3FN3/c8-5-2-1-12-6(9)3(11)4(2)13-7(10)14-5/h1H
InChIKey
ILTXDPMYCUSDQV-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
10
H-bond acceptors
3
Molar refractivity
52.32
TPSA
38.67
LogP / Solubility
WLOGP
3.12
MLOGP
2.76
XLogP3
3.5
Consensus LogP
3.13
Log S (ESOL)
-3.9
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.89
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.89
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)
-2.04
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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