CAS RN: 153404-60-5
Bis(3-bromophenyl)acetylene
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.20250504 | 200mg / 1g / 5g | Confirm by inquiry | Shanghai, Shandong | Inquiry |
- Product code: SSC-062866
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 | Shenzhen | Inquiry |
153404-60-5 / 1-bromo-3-[2-(3-bromophenyl)ethynyl]benzene
Basic Information
CAS
153404-60-5
Multi CAS
No
Molecular Formula
C14H8Br2
Molecular Weight
336.020000
Exact Mass
335.897230
SMILES
C1=CC(=CC(=C1)Br)C#CC2=CC(=CC=C2)Br
InChI
InChI=1S/C14H8Br2/c15-13-5-1-3-11(9-13)7-8-12-4-2-6-14(16)10-12/h1-6,9-10H
InChIKey
WSXUXTVJTIPBAF-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
12
Rotatable bonds
2
Molar refractivity
74.26
TPSA
0.0000
LogP / Solubility
WLOGP
4.61
MLOGP
4.07
XLogP3
5.3
Consensus LogP
4.66
Log S (ESOL)
-5.38
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.64
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.67
Class (SILICOS-IT)
Slightly soluble
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)
-1.5
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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