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 | Shenzhen | Inquiry |
151721-79-8 / 1,3,5-trichloro-2,4,6-triiodobenzene
Basic Information
CAS
151721-79-8
Multi CAS
No
Molecular Formula
C6Cl3I3
Molecular Weight
559.100000
Exact Mass
557.620000
SMILES
C1(=C(C(=C(C(=C1I)Cl)I)Cl)I)Cl
InChI
InChI=1S/C6Cl3I3/c7-1-4(10)2(8)6(12)3(9)5(1)11
InChIKey
RCCCCPGFWUMWDX-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Molar refractivity
79.62
TPSA
0.0000
LogP / Solubility
WLOGP
5.46
MLOGP
4.85
XLogP3
5.8
Consensus LogP
5.37
Log S (ESOL)
-7.12
Class (ESOL)
Insoluble
Log S (Ali)
-8.09
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.83
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.25
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.56
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
