CAS RN: 126690-96-8
9-Bromo-9,10-dihydro-9,10-ethenoanthracene
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.20260115 | 200mg | In stock | Shanghai | Inquiry |
- Product code: SSC-033760
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: ≥98%
- 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 | ≥98% | 0 Out of Stock | Hong Kong | Inquiry |
126690-96-8 / 1-bromotetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13,15-heptaene
Basic Information
CAS
126690-96-8
Multi CAS
No
Molecular Formula
C16H11Br
Molecular Weight
283.160000
Exact Mass
282.004410
SMILES
C1=CC=C2C(=C1)C3C=CC2(C4=CC=CC=C34)Br
InChI
InChI=1S/C16H11Br/c17-16-10-9-11(12-5-1-3-7-14(12)16)13-6-2-4-8-15(13)16/h1-11H
InChIKey
JNPBTNVWRDISGS-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
12
Fraction Csp3
0.12
Molar refractivity
73.57
TPSA
0.0000
LogP / Solubility
WLOGP
4.34
MLOGP
3.83
XLogP3
4.4
Consensus LogP
4.19
Log S (ESOL)
-4.85
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.02
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.1
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.37
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
4.5
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