![CAS 2454396-94-0 Pyrido[4,3-d]pyrimidine, 4,7-dichloro-8-fluoro- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2454396-94-0.gif)
CAS RN: 2454396-94-0
Pyrido[4,3-d]pyrimidine, 4,7-dichloro-8-fluoro-
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260601 | 100mg / 250mg / 500mg | Out of stock | 1 business days | Inquiry |
- Product code: starshine_CAS2454396-94-0
- Purity/Analytical Methods: >99.0%
2454396-94-0 / 4,7-dichloro-8-fluoropyrido[4,3-d]pyrimidine
Basic Information
CAS
2454396-94-0
Multi CAS
No
Molecular Formula
C7H2Cl2FN3
Molecular Weight
218.010000
Exact Mass
216.960981
SMILES
C1=C2C(=C(C(=N1)Cl)F)N=CN=C2Cl
InChI
InChI=1S/C7H2Cl2FN3/c8-6-3-1-11-7(9)4(10)5(3)12-2-13-6/h1-2H
InChIKey
QLYAWOKSYVXHSX-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
10
H-bond acceptors
3
Molar refractivity
47.31
TPSA
38.67
LogP / Solubility
WLOGP
2.47
MLOGP
2.18
XLogP3
2.5
Consensus LogP
2.38
Log S (ESOL)
-3.32
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.13
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.13
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)
-2.3
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 2454397-75-0 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)
