CAS RN: 2042493-16-1
“1,10-Phenanthroline, 2-(4-bromo-1-naphthalenyl)-9-phenyl-“
Product Availability
Choose a grade to view its available package options.
6 package records6 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20251014 | 100g | In stock | Shanghai | Inquiry |
| Batchno.20251028 | 1g | In stock | Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu | Inquiry |
| Batchno.20260609 | 250mg | In stock | Shanghai, Shenzhen, Tianjin, Wuhan | Inquiry |
| Batchno.20250911 | 250mg / 1g / 5g / 25g | Confirm by inquiry | Shanghai | Inquiry |
| Batchno.20250731 | 25g | In stock | Shanghai | Inquiry |
| Batchno.20250729 | 5g | In stock | Shanghai, Shenzhen | Inquiry |
- Product code: SSC-096073
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 |
2042493-16-1 / 2-bromo-9-phenyl-1,10-phenanthroline
Basic Information
CAS
2042493-16-1
Multi CAS
No
Molecular Formula
C18H11BrN2
Molecular Weight
335.200000
Exact Mass
334.010560
SMILES
C1=CC=C(C=C1)C2=NC3=C(C=CC4=C3N=C(C=C4)Br)C=C2
InChI
InChI=1S/C18H11BrN2/c19-16-11-9-14-7-6-13-8-10-15(12-4-2-1-3-5-12)20-17(13)18(14)21-16/h1-11H
InChIKey
RONHNDLXJVQZOE-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
21
Aromatic heavy atom count
20
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
90.18
TPSA
25.78
LogP / Solubility
WLOGP
5.21
MLOGP
4.6
XLogP3
5.1
Consensus LogP
4.97
Log S (ESOL)
-5.84
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.07
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.29
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
No
Log Kp (skin permeation)
-1.06
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3
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