![CAS 1523406-39-4 (S)-1-((5-chloropyridin-3-yl)methyl)-8-((R)-3-methylmorpholino)-2-(trifluoromethyl)-3,4-dihydro-1H-pyrimido[1,2-a]pyrimidin-6(2H)-one molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1523406-39-4(2).gif)
CAS RN: 1523406-39-4
(S)-1-((5-chloropyridin-3-yl)methyl)-8-((R)-3-methylmorpholino)-2-(trifluoromethyl)-3,4-dihydro-1H-pyrimido[1,2-a]pyrimidin-6(2H)-one
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Inquiry |
|---|---|---|---|
| Batchno.20260426 | 1ml | In stock | Inquiry |
- Product code: starshine_CAS1523406-39-4
- Purity/Analytical Methods: >99.0%
1523406-39-4 / (8S)-9-[(5-chloro-3-pyridinyl)methyl]-2-[(3R)-3-methylmorpholin-4-yl]-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one
Basic Information
CAS
1523406-39-4
Multi CAS
No
Molecular Formula
C19H21ClF3N5O2
Molecular Weight
443.800000
Exact Mass
443.133587
SMILES
C[C@@H]1COCCN1C2=CC(=O)N3CC[C@H](N(C3=N2)CC4=CC(=CN=C4)Cl)C(F)(F)F
InChI
InChI=1S/C19H21ClF3N5O2/c1-12-11-30-5-4-26(12)16-7-17(29)27-3-2-15(19(21,22)23)28(18(27)25-16)10-13-6-14(20)9-24-8-13/h6-9,12,15H,2-5,10-11H2,1H3/t12-,15+/m1/s1
InChIKey
SPDQRCUBFSRAFI-DOMZBBRYSA-N
Computed Properties
Structural Parameters
Heavy atom count
30
Aromatic heavy atom count
12
Fraction Csp3
0.53
Rotatable bonds
3
H-bond acceptors
7
Molar refractivity
106.01
TPSA
63.49
LogP / Solubility
WLOGP
2.86
MLOGP
2.54
XLogP3
2.2
Consensus LogP
2.53
Log S (ESOL)
-4.49
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.26
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.28
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.4
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4
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![CAS 1523412-59-0 (S)-8-((R)-3-methylmorpholino)-2-(trifluoromethyl)-3,4-dihydro-1H-pyrimido[1,2-a]pyrimidin-6(2H)-one molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1523412-59-0.gif)
