![CAS 147662-99-5 3-(2-Chloroethyl)-7-methoxy-2-methyl-4H-pyrido[1,2-a]pyrimidin-4-one molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/147662-99-5.gif)
CAS RN: 147662-99-5
3-(2-Chloroethyl)-7-methoxy-2-methyl-4H-pyrido[1,2-a]pyrimidin-4-one
- Product code: SSC-058209
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 1g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Hong Kong | Inquiry |
147662-99-5 / 3-(2-chloroethyl)-7-methoxy-2-methylpyrido[1,2-a]pyrimidin-4-one
Basic Information
CAS
147662-99-5
Multi CAS
No
Molecular Formula
C12H13ClN2O2
Molecular Weight
252.690000
Exact Mass
252.066555
SMILES
CC1=C(C(=O)N2C=C(C=CC2=N1)OC)CCCl
InChI
InChI=1S/C12H13ClN2O2/c1-8-10(5-6-13)12(16)15-7-9(17-2)3-4-11(15)14-8/h3-4,7H,5-6H2,1-2H3
InChIKey
FZSZMRUSKSYCGS-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
10
Fraction Csp3
0.33
Rotatable bonds
3
H-bond acceptors
4
Molar refractivity
67.18
TPSA
43.6
LogP / Solubility
WLOGP
1.79
MLOGP
1.58
XLogP3
1
Consensus LogP
1.46
Log S (ESOL)
-2.77
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.93
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.15
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.99
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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