CAS RN: 147394-94-3
ELF97Phosphate
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.20250311 | 50mg / 100mg / 250mg | Confirm by inquiry | Shanghai, Guangdong | Inquiry |
- Product code: starshine_CAS147394-94-3
- Purity/Analytical Methods: >99.0%
147394-94-3 / [4-chloro-2-(6-chloro-4-oxo-3H-quinazolin-2-yl)phenyl] dihydrogen phosphate
Basic Information
CAS
147394-94-3
Multi CAS
No
Molecular Formula
C14H9Cl2N2O5P
Molecular Weight
387.100000
Exact Mass
385.962614
SMILES
C1=CC2=C(C=C1Cl)C(=O)NC(=N2)C3=C(C=CC(=C3)Cl)OP(=O)(O)O
InChI
InChI=1S/C14H9Cl2N2O5P/c15-7-1-3-11-9(5-7)14(19)18-13(17-11)10-6-8(16)2-4-12(10)23-24(20,21)22/h1-6H,(H,17,18,19)(H2,20,21,22)
InChIKey
IXZONVAEGFOVSF-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
24
Aromatic heavy atom count
16
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
3
Molar refractivity
90.49
TPSA
112.51
LogP / Solubility
WLOGP
3.37
MLOGP
2.99
XLogP3
1.9
Consensus LogP
2.75
Log S (ESOL)
-4.66
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.17
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.33
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.69
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
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