CAS RN: 16218-30-7
2,7-DIIODO-FLUOREN-9-ONE
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250730 | 5g / 25g / 100g | Confirm by inquiry | Shanghai | 8-10 business days | Inquiry |
- Product code: starshine_CAS16218-30-7
- Purity/Analytical Methods: >99.0%
16218-30-7 / 2,7-diiodofluoren-9-one
Basic Information
CAS
16218-30-7
Multi CAS
No
Molecular Formula
C13H6I2O
Molecular Weight
431.990000
Exact Mass
431.850810
SMILES
C1=CC2=C(C=C1I)C(=O)C3=C2C=CC(=C3)I
InChI
InChI=1S/C13H6I2O/c14-7-1-3-9-10-4-2-8(15)6-12(10)13(16)11(9)5-7/h1-6H
InChIKey
JDLJRWMARKAKIA-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
12
H-bond acceptors
1
Molar refractivity
80.74
TPSA
17.07
LogP / Solubility
WLOGP
4.11
MLOGP
3.64
XLogP3
4.9
Consensus LogP
4.22
Log S (ESOL)
-5.66
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.07
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-5.88
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.44
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
Safety & Transport
Pictogram(s)
Environmental Hazard
GHS Hazard Statements
H411 (100%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
Precautionary Statement Codes
P273, P391, and P501
