CAS RN: 23055-47-2
2-IODO-7-NITROFLUORENE
Product Availability
Choose a grade to view its available package options.
4 package records0 with current stock1 grade group
- Product code: SSC-112034
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: 1g
- Available purity: ≥95%
- 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 |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Beijing | Inquiry |
23055-47-2 / 2-iodo-7-nitro-9H-fluorene
Basic Information
CAS
23055-47-2
Multi CAS
No
Molecular Formula
C13H8INO2
Molecular Weight
337.110000
Exact Mass
336.959980
SMILES
C1C2=C(C=CC(=C2)[N+](=O)[O-])C3=C1C=C(C=C3)I
InChI
InChI=1S/C13H8INO2/c14-10-1-3-12-8(6-10)5-9-7-11(15(16)17)2-4-13(9)12/h1-4,6-7H,5H2
InChIKey
HSJXILJMBUVJFU-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
12
Fraction Csp3
0.08
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
74.06
TPSA
43.14
LogP / Solubility
WLOGP
3.77
MLOGP
3.33
XLogP3
4.4
Consensus LogP
3.83
Log S (ESOL)
-4.76
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.05
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.1
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
No
Log Kp (skin permeation)
-2.1
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
