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CAS 1256544-32-7 Benzo[b]naphtho[2,3-d]furan, 3-bromo- molecular structure lightbox
CAS RN: 1256544-32-7

Benzo[b]naphtho[2,3-d]furan, 3-bromo-

  • Product code: SSC-030530
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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: 5g
  • Available purity: ＞97%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1256544-32-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ＞97% 0 Out of Stock Shanghai Inquiry

1256544-32-7 / 3-bromonaphtho[2,3-b][1]benzofuran

Standard CAS: 1256544-32-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1256544-32-7
Multi CAS
No
Molecular Formula
C16H9BrO
Molecular Weight
297.140000
Exact Mass
295.983680
SMILES
C1=CC=C2C=C3C(=CC2=C1)C4=C(O3)C=C(C=C4)Br
InChI
InChI=1S/C16H9BrO/c17-12-5-6-13-14-7-10-3-1-2-4-11(10)8-15(14)18-16(13)9-12/h1-9H
InChIKey
BBLXKCGFKPLRQK-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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