CAS RN: 1848242-58-9
PI3K/mTOR Inhibitor-2
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250823 | 1mg / 5mg / 10mg / 25mg | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS1848242-58-9
- Purity/Analytical Methods: >99.0%
1848242-58-9 / N-[5-(3-chloro-4-oxopyrido[1,2-a]pyrimidin-7-yl)-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide
Basic Information
CAS
1848242-58-9
Multi CAS
No
Molecular Formula
C20H13ClF2N4O4S
Molecular Weight
478.900000
Exact Mass
478.031410
SMILES
COC1=C(C=C(C=N1)C2=CN3C(=NC=C(C3=O)Cl)C=C2)NS(=O)(=O)C4=C(C=C(C=C4)F)F
InChI
InChI=1S/C20H13ClF2N4O4S/c1-31-19-16(26-32(29,30)17-4-3-13(22)7-15(17)23)6-12(8-25-19)11-2-5-18-24-9-14(21)20(28)27(18)10-11/h2-10,26H,1H3
InChIKey
LQTYGHZRBUVRMR-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
32
Aromatic heavy atom count
22
Fraction Csp3
0.05
Rotatable bonds
5
H-bond acceptors
7
H-bond donors
1
Molar refractivity
113.42
TPSA
102.66
LogP / Solubility
WLOGP
3.5
MLOGP
3.11
XLogP3
2.1
Consensus LogP
2.9
Log S (ESOL)
-5.19
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.01
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.28
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.16
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
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