CAS RN: 92616-49-4
4-Bromo-1-naphthonitrile
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.20260406 | 5g | In stock | Shanghai | Inquiry |
- Product code: SSC-206327
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: 100g
- 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 |
|---|---|---|---|---|
| 100g | >97% | 0 Out of Stock | Hong Kong | Inquiry |
92616-49-4 / 4-bromonaphthalene-1-carbonitrile
Basic Information
CAS
92616-49-4
Multi CAS
No
Molecular Formula
BC11H6Rn
Molecular Weight
232.080000
Exact Mass
230.968360
InChI
InChI=1S/C11H6BrN/c12-11-6-5-8(7-13)9-3-1-2-4-10(9)11/h1-6H
InChIKey
ITKIWUNXKKMMSE-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
10
H-bond acceptors
1
Molar refractivity
56.36
TPSA
23.79
LogP / Solubility
WLOGP
3.47
MLOGP
3.06
XLogP3
3.6
Consensus LogP
3.38
Log S (ESOL)
-4.04
Class (ESOL)
Slightly soluble
Log S (Ali)
-3.97
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.05
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.67
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
