![CAS 1099593-10-8 2-bromo-spiro[fluorene-7,9′-benzofluorene] molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1099593-10-8.gif)
CAS RN: 1099593-10-8
2-bromo-spiro[fluorene-7,9′-benzofluorene]
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250306 | 100mg / 250mg / 1g | Confirm by inquiry | Shanghai | 5-7 business days | Inquiry |
- Product code: SSC-011199
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: 0.25g
- 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 |
|---|---|---|---|---|
| 0.25g | ＞97% | 0 Out of Stock | Beijing | Inquiry |
1099593-10-8 / 2'-bromospiro[benzo[c]fluorene-7,9'-fluorene]
2'-Bromospiro[benzo[c]fluorene-7,9'-fluorene] | 2-bromo-spiro[fluorene-7,9'-benzofluorene] | MFCD32065725
Basic Information
CAS
1099593-10-8
Multi CAS
No
Molecular Formula
C29H17Br
Molecular Weight
445.300000
Exact Mass
444.051360
SMILES
C1=CC=C2C(=C1)C=CC3=C2C4=CC=CC=C4C35C6=CC=CC=C6C7=C5C=C(C=C7)Br
InChI
InChI=1S/C29H17Br/c30-19-14-15-22-21-9-3-5-11-24(21)29(27(22)17-19)25-12-6-4-10-23(25)28-20-8-2-1-7-18(20)13-16-26(28)29/h1-17H
InChIKey
LOPJUGUQMOEWDR-UHFFFAOYSA-N
Synonyms
2'-Bromospiro[benzo[c]fluorene-7,9'-fluorene]
2-bromo-spiro[fluorene-7,9'-benzofluorene]
MFCD32065725
2'-Bromospiro[7H-benzo[C]fluorene-7,9'-[9H]fluorene]
SCHEMBL19822247
Computed Properties
Structural Parameters
Heavy atom count
30
Aromatic heavy atom count
28
Fraction Csp3
0.03
Molar refractivity
127.95
TPSA
0.0000
LogP / Solubility
WLOGP
7.95
MLOGP
7.02
XLogP3
8.3
Consensus LogP
7.76
Log S (ESOL)
-8.3
Class (ESOL)
Insoluble
Log S (Ali)
-8.95
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.15
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
0.2
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
6
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