![CAS 162469-86-5 2-(Chloromethyl)-9-hydroxy-4H-pyrido[1,2-a]pyrimidin-4-one molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/162469-86-5.gif)
CAS RN: 162469-86-5
2-(Chloromethyl)-9-hydroxy-4H-pyrido[1,2-a]pyrimidin-4-one
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.20251028 | 100mg / 250mg / 1g / 5g / 25g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS162469-86-5
- Purity/Analytical Methods: >99.0%
162469-86-5 / 2-(chloromethyl)-9-hydroxypyrido[1,2-a]pyrimidin-4-one
Basic Information
CAS
162469-86-5
Multi CAS
No
Molecular Formula
C9H7ClN2O2
Molecular Weight
210.620000
Exact Mass
210.019605
SMILES
C1=CN2C(=O)C=C(N=C2C(=C1)O)CCl
InChI
InChI=1S/C9H7ClN2O2/c10-5-6-4-8(14)12-3-1-2-7(13)9(12)11-6/h1-4,13H,5H2
InChIKey
GDPDHDSSORRBEQ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
10
Fraction Csp3
0.11
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
52.68
TPSA
54.6
LogP / Solubility
WLOGP
1.14
MLOGP
1
XLogP3
0.4
Consensus LogP
0.85
Log S (ESOL)
-2.33
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.11
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.09
Class (SILICOS-IT)
Moderately 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)
-3.2
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 162469-87-6 7-chloro-2-(chloromethyl)-4H-pyrido[1,2-a]pyrimidin-4-one(SALTDATA: FREE) molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/162469-87-6.gif)
