CAS RN: 128780-28-9
2,3-Dibromonorbornadiene
Product Availability
Choose a grade to view its available package options.
2 package records0 with current stock1 grade group
- Product code: SSC-035958
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: ＞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 |
|---|---|---|---|---|
| 1g | ＞95% | 0 Out of Stock | Beijing | Inquiry |
128780-28-9 / 2,3-dibromobicyclo[2.2.1]hepta-2,5-diene
Basic Information
CAS
128780-28-9
Multi CAS
No
Molecular Formula
C7H6Br2
Molecular Weight
249.930000
Exact Mass
249.881580
SMILES
C1C2C=CC1C(=C2Br)Br
InChI
InChI=1S/C7H6Br2/c8-6-4-1-2-5(3-4)7(6)9/h1-2,4-5H,3H2
InChIKey
RHFUUOTVAVJELK-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
9
Fraction Csp3
0.43
Molar refractivity
45.62
TPSA
0.0000
LogP / Solubility
WLOGP
3.19
MLOGP
2.82
XLogP3
2.7
Consensus LogP
2.9
Log S (ESOL)
-3.4
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.92
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.94
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.98
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
4.5
