CAS RN: 206444-58-8
FLUORESCEIN O O’-DIMETHACRYLATE 95
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.20260401 | 25mg / 100mg / 250mg | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS206444-58-8
- Purity/Analytical Methods: >99.0%
206444-58-8 / [6'-(2-methylprop-2-enoyloxy)-3-oxospiro[2-benzofuran-1,9'-xanthene]-3'-yl] 2-methylprop-2-enoate
Basic Information
CAS
206444-58-8
Multi CAS
No
Molecular Formula
C28H20O7
Molecular Weight
468.500000
Exact Mass
468.120903
SMILES
CC(=C)C(=O)OC1=CC2=C(C=C1)C3(C4=C(O2)C=C(C=C4)OC(=O)C(=C)C)C5=CC=CC=C5C(=O)O3
InChI
InChI=1S/C28H20O7/c1-15(2)25(29)32-17-9-11-21-23(13-17)34-24-14-18(33-26(30)16(3)4)10-12-22(24)28(21)20-8-6-5-7-19(20)27(31)35-28/h5-14H,1,3H2,2,4H3
InChIKey
IJMJZIOPZNRQMM-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
35
Aromatic heavy atom count
18
Fraction Csp3
0.11
Rotatable bonds
4
H-bond acceptors
7
Molar refractivity
125.6
TPSA
88.13
LogP / Solubility
WLOGP
5.22
MLOGP
4.62
XLogP3
5.6
Consensus LogP
5.15
Log S (ESOL)
-6.15
Class (ESOL)
Insoluble
Log S (Ali)
-7.17
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.52
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
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.87
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4.5
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