![CAS 2172929-14-3 Benzo[b]naphtho[2,1-d]furan,7-bromo- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2172929-14-3.png)
CAS RN: 2172929-14-3
Benzo[b]naphtho[2,1-d]furan,7-bromo-
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.20260118 | 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: SSC-104795
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 1g
- Available purity: ＞97%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ＞97% | 0 Out of Stock | Shanghai | Inquiry |
2172929-14-3 / 7-bromonaphtho[1,2-b][1]benzofuran
Basic Information
CAS
2172929-14-3
Multi CAS
No
Molecular Formula
C16H9BrO
Molecular Weight
297.140000
Exact Mass
295.983680
SMILES
C1=CC=C2C(=C1)C=CC3=C2OC4=C3C(=CC=C4)Br
InChI
InChI=1S/C16H9BrO/c17-13-6-3-7-14-15(13)12-9-8-10-4-1-2-5-11(10)16(12)18-14/h1-9H
InChIKey
FAHHZSWXOUVTNP-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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