![CAS 1627917-20-7 Benzo[b]naphtho[2,1-d]furan, 8-bromo- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1627917-20-7.gif)
CAS RN: 1627917-20-7
Benzo[b]naphtho[2,1-d]furan, 8-bromo-
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20251204 | 100mg / 250mg / 1g / 5g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS1627917-20-7
- Purity/Analytical Methods: >99.0%
1627917-20-7 / 8-bromonaphtho[1,2-b][1]benzofuran
Basic Information
CAS
1627917-20-7
Multi CAS
No
Molecular Formula
C16H9BrO
Molecular Weight
297.140000
Exact Mass
295.983680
SMILES
C1=CC=C2C(=C1)C=CC3=C2OC4=C3C=C(C=C4)Br
InChI
InChI=1S/C16H9BrO/c17-11-6-8-15-14(9-11)13-7-5-10-3-1-2-4-12(10)16(13)18-15/h1-9H
InChIKey
MIZOTUDZFPYYCT-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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