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CAS 42709-87-5 Naphtho[2,3-b]furan-3-one molecular structure lightbox
CAS RN: 42709-87-5

Naphtho[2,3-b]furan-3-one

  • Product code: SSC-150987
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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: 1g
  • 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 42709-87-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

42709-87-5 / benzo[f][1]benzofuran-3-one

Standard CAS: 42709-87-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
42709-87-5
Multi CAS
No
Molecular Formula
C12H8O2
Molecular Weight
184.190000
Exact Mass
184.052429
InChI
InChI=1S/C12H8O2/c13-11-7-14-12-6-9-4-2-1-3-8(9)5-10(11)12/h1-6H,7H2
InChIKey
AGNAVLZORPISDD-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
10
Fraction Csp3
0.08
H-bond acceptors
2
Molar refractivity
53.77
TPSA
26.3

LogP / Solubility

WLOGP
2.41
MLOGP
2.12
XLogP3
2.7
Consensus LogP
2.41
Log S (ESOL)
-3.03
Class (ESOL)
Poorly soluble
Log S (Ali)
-2.81
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.86
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.13

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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