CAS RN: 22536-40-9
Triphenylene, 1-chloro-
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260323 | 250mg / 1g / 5g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: SSC-110172
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: ＞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 |
|---|---|---|---|---|
| 5g | ＞95% | 0 Out of Stock | Shanghai | Inquiry |
22536-40-9 / 1-chlorotriphenylene
Basic Information
CAS
22536-40-9
Multi CAS
No
Molecular Formula
C18H11Cl
Molecular Weight
262.700000
Exact Mass
262.054928
SMILES
C1=CC=C2C(=C1)C3=C(C4=CC=CC=C24)C(=CC=C3)Cl
InChI
InChI=1S/C18H11Cl/c19-17-11-5-10-16-14-7-2-1-6-12(14)13-8-3-4-9-15(13)18(16)17/h1-11H
InChIKey
NXXNBEYMRKHPKK-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
18
Molar refractivity
83.97
TPSA
0.0000
LogP / Solubility
WLOGP
5.8
MLOGP
5.11
XLogP3
5.5
Consensus LogP
5.47
Log S (ESOL)
-5.82
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.9
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.18
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-0.2
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
2
