![CAS 897360-38-2 Pyrido[3,2-d]pyrimidine-2,4(1H,3H)-dione, 6-chloro- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/897360-38-2.gif)
CAS RN: 897360-38-2
Pyrido[3,2-d]pyrimidine-2,4(1H,3H)-dione, 6-chloro-
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.20251029 | 50mg / 250mg / 1g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS897360-38-2
- Purity/Analytical Methods: >99.0%
897360-38-2 / 6-chloro-1H-pyrido[3,2-d]pyrimidine-2,4-dione
Basic Information
CAS
897360-38-2
Multi CAS
Yes
Molecular Formula
C7H4CLN3O2
Molecular Weight
197.580000
Exact Mass
196.999204
InChI
InChI=1S/C7H4ClN3O2/c8-4-2-1-3-5(10-4)6(12)11-7(13)9-3/h1-2H,(H2,9,11,12,13)
InChIKey
IMDYSVJPUZTVAM-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
10
H-bond acceptors
3
H-bond donors
2
Molar refractivity
47.99
TPSA
78.61
LogP / Solubility
WLOGP
0.26
MLOGP
0.23
XLogP3
0.7
Consensus LogP
0.4
Log S (ESOL)
-1.8
Class (ESOL)
Soluble
Log S (Ali)
-1.37
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.16
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)
-3.74
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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