![CAS 209911-63-7 4′-(Dibromomethyl)-[1,1′-Biphenyl]-2-Carbonitrile molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/209911-63-7.gif)
CAS RN: 209911-63-7
4′-(Dibromomethyl)-[1,1′-Biphenyl]-2-Carbonitrile
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.20260509 | 100mg | In stock | Shanghai, Shenzhen, Tianjin, Chengdu | Inquiry |
| Batchno.20260222 | 10g | In stock | Shanghai | Inquiry |
| Batchno.20250403 | 1g | In stock | Shanghai, Shenzhen, Tianjin, Chengdu | Inquiry |
| Batchno.20250422 | 250mg | In stock | Shanghai, Shenzhen, Chengdu | Inquiry |
| Batchno.20250421 | 50mg | In stock | Shanghai, Shenzhen, Tianjin, Wuhan | Inquiry |
| Batchno.20260526 | 5g | In stock | Shanghai | Inquiry |
- Product code: SSC-099816
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: ＞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 |
|---|---|---|---|---|
| 1g | ＞97% | 0 Out of Stock | Beijing | Inquiry |
209911-63-7 / 2-[4-(dibromomethyl)phenyl]benzonitrile
Basic Information
CAS
209911-63-7
Multi CAS
No
Molecular Formula
C14H9Br2N
Molecular Weight
351.040000
Exact Mass
350.908130
SMILES
C1=CC=C(C(=C1)C#N)C2=CC=C(C=C2)C(Br)Br
InChI
InChI=1S/C14H9Br2N/c15-14(16)11-7-5-10(6-8-11)13-4-2-1-3-12(13)9-17/h1-8,14H
InChIKey
JFOGXCVQPLGLLD-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
12
Fraction Csp3
0.07
Rotatable bonds
2
H-bond acceptors
1
Molar refractivity
77.19
TPSA
23.79
LogP / Solubility
WLOGP
5.01
MLOGP
4.43
XLogP3
4.7
Consensus LogP
4.71
Log S (ESOL)
-5.57
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.06
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.34
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
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.3
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
1.5
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