CAS RN: 110698-53-8
5-(OCTADECANOYLAMINO)FLUORESCEIN
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.20260419 | 100mg / 500mg | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS110698-53-8
- Purity/Analytical Methods: >99.0%
110698-53-8 / N-(3',6'-dihydroxy-3-oxospiro[2-benzofuran-1,9'-xanthene]-5-yl)octadecanamide
Octadecanamide,N-(3',6'-dihydroxy-3-oxospiro[isobenzofuran-1(3H),9'-[9h]xanthen]-5-yl)- | N-(3',6'-dihydroxy-3-oxospiro[2-benzofuran-1,9'-xanthene]-5-yl)octadecanamide | N-(3',6'-Dihydroxy-3-oxo-3H-spiro[isobenzofuran-1,9'-xanthen]-5-yl)stearamide
Basic Information
CAS
110698-53-8
Multi CAS
Yes
Molecular Formula
C38H47NO6
Molecular Weight
613.800000
Exact Mass
613.340338
SMILES
CCCCCCCCCCCCCCCCCC(=O)NC1=CC2=C(C=C1)C3(C4=C(C=C(C=C4)O)OC5=C3C=CC(=C5)O)OC2=O
InChI
InChI=1S/C38H47NO6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-36(42)39-27-18-21-31-30(24-27)37(43)45-38(31)32-22-19-28(40)25-34(32)44-35-26-29(41)20-23-33(35)38/h18-26,40-41H,2-17H2,1H3,(H,39,42)
InChIKey
VVDTVZIYBOPOTA-UHFFFAOYSA-N
Synonyms
Octadecanamide,N-(3',6'-dihydroxy-3-oxospiro[isobenzofuran-1(3H),9'-[9h]xanthen]-5-yl)-
N-(3',6'-dihydroxy-3-oxospiro[2-benzofuran-1,9'-xanthene]-5-yl)octadecanamide
N-(3',6'-Dihydroxy-3-oxo-3H-spiro[isobenzofuran-1,9'-xanthen]-5-yl)stearamide
SCHEMBL700563
SCHEMBL30962485
Computed Properties
Structural Parameters
Heavy atom count
45
Aromatic heavy atom count
18
Fraction Csp3
0.47
Rotatable bonds
17
H-bond acceptors
6
H-bond donors
3
Molar refractivity
176.2
TPSA
105.09
LogP / Solubility
WLOGP
9.87
MLOGP
8.73
XLogP3
11
Consensus LogP
9.87
Log S (ESOL)
-9.03
Class (ESOL)
Insoluble
Log S (Ali)
-11.72
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-13.88
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
0.54
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
6
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