CAS RN: 278176-08-2
9 9-BIS(2-ETHYLHEXYL)-2 7-DIIODO-9H-FLU&
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20251212 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS278176-08-2
- Purity/Analytical Methods: >99.0%
278176-08-2 / 9,9-bis(2-ethylhexyl)-2,7-diiodofluorene
Basic Information
CAS
278176-08-2
Multi CAS
No
Molecular Formula
C29H40I2
Molecular Weight
642.400000
Exact Mass
642.121950
InChI
InChI=1S/C29H40I2/c1-5-9-11-21(7-3)19-29(20-22(8-4)12-10-6-2)27-17-23(30)13-15-25(27)26-16-14-24(31)18-28(26)29/h13-18,21-22H,5-12,19-20H2,1-4H3
InChIKey
BKFQJJIOFQOZEO-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
31
Aromatic heavy atom count
12
Fraction Csp3
0.59
Rotatable bonds
12
Molar refractivity
153.94
TPSA
0.0000
LogP / Solubility
WLOGP
10.38
MLOGP
9.18
XLogP3
12.7
Consensus LogP
10.75
Log S (ESOL)
-9.85
Class (ESOL)
Insoluble
Log S (Ali)
-12.32
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-13.89
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
0.73
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
3.5
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