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CAS 1256544-74-7 Benzo[d]naphtho[2,1-b]furan-10-ylboronic acid molecular structure lightbox
CAS RN: 1256544-74-7

Benzo[d]naphtho[2,1-b]furan-10-ylboronic acid

  • Product code: SSC-030532
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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: 0.25g
  • Available purity: ≥95%
  • 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 1256544-74-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Hong Kong Inquiry

1256544-74-7 / naphtho[2,1-b][1]benzofuran-10-ylboronic acid

Standard CAS: 1256544-74-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1256544-74-7
Multi CAS
No
Molecular Formula
C16H11BO3
Molecular Weight
262.100000
Exact Mass
262.080124
SMILES
B(C1=CC2=C(C=C1)OC3=C2C4=CC=CC=C4C=C3)(O)O
InChI
InChI=1S/C16H11BO3/c18-17(19)11-6-8-14-13(9-11)16-12-4-2-1-3-10(12)5-7-15(16)20-14/h1-9,18-19H
InChIKey
DGJCIURIYNICAM-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
17
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
2
Molar refractivity
81.05
TPSA
53.6

LogP / Solubility

WLOGP
2.42
MLOGP
2.14
XLogP3
2.42
Consensus LogP
2.33
Log S (ESOL)
-3.55
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.46
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.49
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.6

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2

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