![CAS 1256544-17-8 5-bromonaphtho[1,2-b]benzofuran molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1256544-17-8.gif)
CAS RN: 1256544-17-8
5-bromonaphtho[1,2-b]benzofuran
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.20250616 | 250mg / 1g / 5g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1256544-17-8
- Purity/Analytical Methods: >99.0%
1256544-17-8 / 5-bromonaphtho[1,2-b][1]benzofuran
Basic Information
CAS
1256544-17-8
Multi CAS
No
Molecular Formula
C16H9BrO
Molecular Weight
297.140000
Exact Mass
295.983680
SMILES
C1=CC=C2C(=C1)C(=CC3=C2OC4=CC=CC=C43)Br
InChI
InChI=1S/C16H9BrO/c17-14-9-13-11-6-3-4-8-15(11)18-16(13)12-7-2-1-5-10(12)14/h1-9H
InChIKey
YTFLJMRDSPVJIX-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
17
H-bond acceptors
1
Molar refractivity
78.93
TPSA
13.14
LogP / Solubility
WLOGP
5.5
MLOGP
4.85
XLogP3
5.6
Consensus LogP
5.32
Log S (ESOL)
-5.85
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.97
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.16
Class (SILICOS-IT)
Insoluble
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)
-0.63
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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