![CAS 63234-80-0 3-(2-Chloroethyl)-6,7,8,9-tetrahydro-2-methyl-4H-pyrido[1,2-a]pyrimidin-4-one molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/c2433-jpgcontextbwfzdgvyfhjvb3r8mzi0nzr8aw1hz2uvanblz3xommivaguwlzg5mjk1njeymtuwmdyvqzi0mzmuanbnfdcwmge1zmfln2qxogqxotfhndu2ogyznzu5owuxzmq2mzg5nwqzyjvindi0zdexodq4njywnju4mtblmgq1ymi.jpeg)
CAS RN: 63234-80-0
3-(2-Chloroethyl)-6,7,8,9-tetrahydro-2-methyl-4H-pyrido[1,2-a]pyrimidin-4-one
- Product code: SSC-172848
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: 100g
- 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 |
|---|---|---|---|---|
| 100g | ≥97% | 0 Out of Stock | Shanghai | Inquiry |
63234-80-0 / 3-(2-chloroethyl)-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
Basic Information
CAS
63234-80-0
Multi CAS
Yes
Molecular Formula
C11H15CLN2O
Molecular Weight
226.700000
Exact Mass
226.087291
InChI
InChI=1S/C11H15ClN2O/c1-8-9(5-6-12)11(15)14-7-3-2-4-10(14)13-8/h2-7H2,1H3
InChIKey
CMWCQQUYLPYOMY-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.64
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
60.6
TPSA
34.89
LogP / Solubility
WLOGP
1.67
MLOGP
1.47
XLogP3
1.1
Consensus LogP
1.41
Log S (ESOL)
-2.46
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.62
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.76
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)
-2.92
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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3-(2-Chloroethyl)-2-methyl-4H-pyrido[1,2-a]pyrimidin-4-one
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- Purity/Analytical method: >98.0%(GC)(T)
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