![CAS 897359-74-9 Pyrido[3,2-d]pyriMidin-4 (1H)-one, 2-aMino-6-chloro- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/897359-74-9.gif)
CAS RN: 897359-74-9
Pyrido[3,2-d]pyriMidin-4 (1H)-one, 2-aMino-6-chloro-
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250808 | 50mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS897359-74-9
- Purity/Analytical Methods: >99.0%
897359-74-9 / 2-amino-6-chloro-4aH-pyrido[3,2-d]pyrimidin-4-one
Basic Information
CAS
897359-74-9
Multi CAS
Yes
Molecular Formula
C7H5CLN4O
Molecular Weight
196.590000
Exact Mass
196.015189
InChI
InChI=1S/C7H5ClN4O/c8-4-2-1-3-5(11-4)6(13)12-7(9)10-3/h1-2H,(H3,9,10,12,13)
InChIKey
QDLDKZFCEXVVSU-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Fraction Csp3
0.14
H-bond acceptors
4
H-bond donors
1
Molar refractivity
50.28
TPSA
80.17
LogP / Solubility
WLOGP
-0.14
MLOGP
-0.13
XLogP3
-0.2
Consensus LogP
-0.16
Log S (ESOL)
-0.97
Class (ESOL)
Very soluble
Log S (Ali)
-1.07
Class (Ali)
Soluble
Log S (SILICOS-IT)
-0.82
Class (SILICOS-IT)
Very soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.02
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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