![CAS 1175203-78-7 5-bromo-spiro[fluorene-7,9′-benzofluorene] molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1175203-78-7.gif)
CAS RN: 1175203-78-7
5-bromo-spiro[fluorene-7,9′-benzofluorene]
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250816 | 250mg / 1g / 5g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1175203-78-7
- Purity/Analytical Methods: >99.0%
1175203-78-7 / 5-bromospiro[benzo[c]fluorene-7,9'-fluorene]
5-bromospiro[benzo[c]fluorene-7,9'-fluorene] | 5-Bromo-spiro[fluorene-7,9'-benzofluorene] | Spiro[7H-benzo[c]fluorene-7,9'-[9H]fluorene], 5-bromo-
Basic Information
CAS
1175203-78-7
Multi CAS
Yes
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=CC=CC=C57)Br
InChI
InChI=1S/C29H17Br/c30-27-17-26-28(21-12-2-1-11-20(21)27)22-13-5-8-16-25(22)29(26)23-14-6-3-9-18(23)19-10-4-7-15-24(19)29/h1-17H
InChIKey
SLWHXBBDAFDIOI-UHFFFAOYSA-N
Synonyms
5-bromospiro[benzo[c]fluorene-7,9'-fluorene]
5-Bromo-spiro[fluorene-7,9'-benzofluorene]
Spiro[7H-benzo[c]fluorene-7,9'-[9H]fluorene], 5-bromo-
SCHEMBL12390730
SLWHXBBDAFDIOI-UHFFFAOYSA-N
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
5.5
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