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 | Shenzhen | Inquiry |
7359-58-2 / tris(4-chlorophenyl) borate
Basic Information
CAS
7359-58-2
Multi CAS
No
Molecular Formula
C18H12BCL3O3
Molecular Weight
393.500000
Exact Mass
391.994507
InChI
InChI=1S/C18H12BCl3O3/c20-13-1-7-16(8-2-13)23-19(24-17-9-3-14(21)4-10-17)25-18-11-5-15(22)6-12-18/h1-12H
InChIKey
JOAZIIBFQMIXJM-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
25
Aromatic heavy atom count
18
Rotatable bonds
6
H-bond acceptors
3
Molar refractivity
101.99
TPSA
27.69
LogP / Solubility
WLOGP
6.17
MLOGP
5.45
XLogP3
6.17
Consensus LogP
5.93
Log S (ESOL)
-6.3
Class (ESOL)
Insoluble
Log S (Ali)
-7.24
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.06
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
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)
-0.74
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
