CAS RN: 144981-86-2
2,7-Diiodo-9,9-dimethylfluorene
Product Availability
Choose a grade to view its available package options.
5 package records1 with current stock1 grade group
- Product code: SSC-056367
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 5g
- Available purity: ＞97%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 5g | ＞97% | 0 Out of Stock | Shanghai | Inquiry |
144981-86-2 / 2,7-diiodo-9,9-dimethylfluorene
Basic Information
CAS
144981-86-2
Multi CAS
No
Molecular Formula
C15H12I2
Molecular Weight
446.060000
Exact Mass
445.902850
SMILES
CC1(C2=C(C=CC(=C2)I)C3=C1C=C(C=C3)I)C
InChI
InChI=1S/C15H12I2/c1-15(2)13-7-9(16)3-5-11(13)12-6-4-10(17)8-14(12)15/h3-8H,1-2H3
InChIKey
GYOWFFGLGGCYSQ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
12
Fraction Csp3
0.2
Molar refractivity
89.44
TPSA
0.0000
LogP / Solubility
WLOGP
5.2
MLOGP
4.61
XLogP3
5.7
Consensus LogP
5.17
Log S (ESOL)
-6.41
Class (ESOL)
Insoluble
Log S (Ali)
-6.97
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.88
Class (SILICOS-IT)
Insoluble
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)
-1.75
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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