![CAS 16867-33-7 3-CHLORO-2-METHYL-4H-PYRIDO[1,2-A]PYRIMIDIN-4-ONE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/16867-33-7.gif)
CAS RN: 16867-33-7
3-CHLORO-2-METHYL-4H-PYRIDO[1,2-A]PYRIMIDIN-4-ONE
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.20260531 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS16867-33-7
- Purity/Analytical Methods: >99.0%
16867-33-7 / 3-chloro-2-methylpyrido[1,2-a]pyrimidin-4-one
Basic Information
CAS
16867-33-7
Multi CAS
No
Molecular Formula
C9H7ClN2O
Molecular Weight
194.620000
Exact Mass
194.024691
SMILES
CC1=C(C(=O)N2C=CC=CC2=N1)Cl
InChI
InChI=1S/C9H7ClN2O/c1-6-8(10)9(13)12-5-3-2-4-7(12)11-6/h2-5H,1H3
InChIKey
RFTUUEWMJJYMNE-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
10
Fraction Csp3
0.11
H-bond acceptors
3
Molar refractivity
51.21
TPSA
34.37
LogP / Solubility
WLOGP
1.66
MLOGP
1.46
XLogP3
1.2
Consensus LogP
1.44
Log S (ESOL)
-2.66
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.35
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.3
Class (SILICOS-IT)
Moderately 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)
-2.73
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
Customers Also Viewed
-
![CAS 16867-35-9 2-(CHLOROMETHYL)-4H-PYRIDO[1,2-A]PYRIMIDIN-4-ONE molecular structure](data:image/svg+xml,%3Csvg%20xmlns='http://www.w3.org/2000/svg'%20viewBox='0%200%200%200'%3E%3C/svg%3E)
2-(CHLOROMETHYL)-4H-PYRIDO[1,2-A]PYRIMIDIN-4-ONE
- CAS RN: 16867-35-9
- Product Code: SSC-073484
-
6-Methyl-4-oxo-4H-pyrido[1,2-a]pyrimidine-3-carboxylic acid ethyl ester
- CAS RN: 16867-53-1
- Product Code: starshine_CAS16867-53-1
- Purity/Analytical method: >99.0%
-
Ethyl 7-bromo-4-oxo-pyrido[1,2-a]pyrimidine-3-carboxylate
- CAS RN: 16867-56-4
- Product Code: SSC-073485
-
-
-
![CAS 16867-35-9 2-(CHLOROMETHYL)-4H-PYRIDO[1,2-A]PYRIMIDIN-4-ONE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/16867-35-9.gif)
![CAS 16867-53-1 6-Methyl-4-oxo-4H-pyrido[1,2-a]pyrimidine-3-carboxylic acid ethyl ester molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/16867-53-1.gif)
![CAS 16867-56-4 Ethyl 7-bromo-4-oxo-pyrido[1,2-a]pyrimidine-3-carboxylate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/16867-56-4.gif)
