CAS RN: 14926-29-5
5-Nitrofluorescein diacetate
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.20250511 | 100mg / 250mg / 1g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS14926-29-5
- Purity/Analytical Methods: >99.0%
14926-29-5 / (6'-acetyloxy-5-nitro-3-oxospiro[2-benzofuran-1,9'-xanthene]-3'-yl) acetate
Basic Information
CAS
14926-29-5
Multi CAS
No
Molecular Formula
C24H15NO9
Molecular Weight
461.400000
Exact Mass
461.074681
SMILES
CC(=O)OC1=CC2=C(C=C1)C3(C4=C(C=C(C=C4)[N+](=O)[O-])C(=O)O3)C5=C(O2)C=C(C=C5)OC(=O)C
InChI
InChI=1S/C24H15NO9/c1-12(26)31-15-4-7-19-21(10-15)33-22-11-16(32-13(2)27)5-8-20(22)24(19)18-6-3-14(25(29)30)9-17(18)23(28)34-24/h3-11H,1-2H3
InChIKey
BQPPOWMXCZRFHE-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
34
Aromatic heavy atom count
18
Fraction Csp3
0.12
Rotatable bonds
3
H-bond acceptors
9
Molar refractivity
113.97
TPSA
131.27
LogP / Solubility
WLOGP
4.01
MLOGP
3.56
XLogP3
3.5
Consensus LogP
3.69
Log S (ESOL)
-5.42
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.24
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.35
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)
-2.68
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
4.5
Safety & Transport
Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement Codes
P264, P270, P301+P317, P330, and P501
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