![CAS 849903-79-3 3-Ethyl-6,7,8,9-tetrahydro-9-hydroxy-2-Methyl-4H-pyrido[1,2-a]pyriMidin-4-one molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/849903-79-3.gif)
CAS RN: 849903-79-3
3-Ethyl-6,7,8,9-tetrahydro-9-hydroxy-2-Methyl-4H-pyrido[1,2-a]pyriMidin-4-one
- Product code: SSC-192768
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: ＞97%
- 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 | ＞97% | 0 Out of Stock | Beijing | Inquiry |
849903-79-3 / 3-ethyl-9-hydroxy-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
Basic Information
CAS
849903-79-3
Multi CAS
Yes
Molecular Formula
C11H16N2O2
Molecular Weight
208.260000
Exact Mass
208.121178
InChI
InChI=1S/C11H16N2O2/c1-3-8-7(2)12-10-9(14)5-4-6-13(10)11(8)15/h9,14H,3-6H2,1-2H3
InChIKey
MTOYCHPCXMAGDI-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.64
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
56.81
TPSA
55.12
LogP / Solubility
WLOGP
0.94
MLOGP
0.83
XLogP3
0.5
Consensus LogP
0.76
Log S (ESOL)
-1.95
Class (ESOL)
Soluble
Log S (Ali)
-1.95
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.91
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)
-3.32
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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