![CAS 1185855-21-3 2′,7′-Dibromospiro[benzo[c]fluorene-7,9′-fluorene molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1185855-21-3.gif)
CAS RN: 1185855-21-3
2′,7′-Dibromospiro[benzo[c]fluorene-7,9′-fluorene
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.20250112 | 250mg / 1g / 5g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1185855-21-3
- Purity/Analytical Methods: >99.0%
1185855-21-3 / 2',7'-dibromospiro[benzo[c]fluorene-7,9'-fluorene]
2',7'-Dibromospiro[benzo[c]fluorene-7,9'-fluorene] | MFCD34705672 | BS-53550
Basic Information
CAS
1185855-21-3
Multi CAS
No
Molecular Formula
C29H16Br2
Molecular Weight
524.200000
Exact Mass
523.959830
SMILES
C1=CC=C2C(=C1)C=CC3=C2C4=CC=CC=C4C35C6=C(C=CC(=C6)Br)C7=C5C=C(C=C7)Br
InChI
InChI=1S/C29H16Br2/c30-18-10-12-21-22-13-11-19(31)16-27(22)29(26(21)15-18)24-8-4-3-7-23(24)28-20-6-2-1-5-17(20)9-14-25(28)29/h1-16H
InChIKey
UGQYGVQNEQHHEE-UHFFFAOYSA-N
Synonyms
2',7'-Dibromospiro[benzo[c]fluorene-7,9'-fluorene]
MFCD34705672
BS-53550
DB-216925
F74737
Computed Properties
Structural Parameters
Heavy atom count
31
Aromatic heavy atom count
28
Fraction Csp3
0.03
Molar refractivity
135.65
TPSA
0.0000
LogP / Solubility
WLOGP
8.71
MLOGP
7.7
XLogP3
9
Consensus LogP
8.47
Log S (ESOL)
-9.24
Class (ESOL)
Insoluble
Log S (Ali)
-10.15
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-10.3
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
0.26
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
5.5
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