CAS RN: 1225053-54-2
1-Bromo-9,9-dimethyl-9H-fluorene
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.20260329 | 100mg | In stock | Shanghai | Inquiry |
- Product code: SSC-025448
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 | Hong Kong | Inquiry |
1225053-54-2 / 1-bromo-9,9-dimethylfluorene
Basic Information
CAS
1225053-54-2
Multi CAS
No
Molecular Formula
C15H13Br
Molecular Weight
273.170000
Exact Mass
272.020060
SMILES
CC1(C2=CC=CC=C2C3=C1C(=CC=C3)Br)C
InChI
InChI=1S/C15H13Br/c1-15(2)12-8-4-3-6-10(12)11-7-5-9-13(16)14(11)15/h3-9H,1-2H3
InChIKey
KMZUUSFWPQLMQE-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
12
Fraction Csp3
0.2
Molar refractivity
71.71
TPSA
0.0000
LogP / Solubility
WLOGP
4.76
MLOGP
4.19
XLogP3
5.1
Consensus LogP
4.68
Log S (ESOL)
-5.08
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.23
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.38
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)
-1.01
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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