![CAS 1872364-25-4 7H-Benzo[b]fluoreno[3,4-d]furan, 5,9-dibromo-7,7-diphenyl- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1872364-25-4.gif)
CAS RN: 1872364-25-4
7H-Benzo[b]fluoreno[3,4-d]furan, 5,9-dibromo-7,7-diphenyl-
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250410 | 1g / 5g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1872364-25-4
- Purity/Analytical Methods: >99.0%
1872364-25-4 / 5,9-dibromo-7,7-diphenylfluoreno[4,3-b][1]benzofuran
Basic Information
CAS
1872364-25-4
Multi CAS
No
Molecular Formula
C31H18Br2O
Molecular Weight
566.300000
Exact Mass
565.970390
SMILES
C1=CC=C(C=C1)C2(C3=CC(=C4C5=CC=CC=C5OC4=C3C6=C2C=C(C=C6)Br)Br)C7=CC=CC=C7
InChI
InChI=1S/C31H18Br2O/c32-21-15-16-22-24(17-21)31(19-9-3-1-4-10-19,20-11-5-2-6-12-20)25-18-26(33)29-23-13-7-8-14-27(23)34-30(29)28(22)25/h1-18H
InChIKey
PYOPHLDTSBBWJC-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
34
Aromatic heavy atom count
31
Fraction Csp3
0.03
Rotatable bonds
2
H-bond acceptors
1
Molar refractivity
146.42
TPSA
13.14
LogP / Solubility
WLOGP
9.47
MLOGP
8.38
XLogP3
9.8
Consensus LogP
9.22
Log S (ESOL)
-9.86
Class (ESOL)
Insoluble
Log S (Ali)
-11.04
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-11.44
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)
0.55
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
4.5
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