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CAS 1839-72-1 2-Phenylbenzofuran molecular structure lightbox
CAS RN: 1839-72-1

2-Phenylbenzofuran

  • Product code: SSC-085061
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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 1839-72-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

1839-72-1 / 2-phenyl-1-benzofuran

Standard CAS: 1839-72-1 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1839-72-1
Multi CAS
No
Molecular Formula
C14H10O
Molecular Weight
194.230000
Exact Mass
194.073165
SMILES
C1=CC=C(C=C1)C2=CC3=CC=CC=C3O2
InChI
InChI=1S/C14H10O/c1-2-6-11(7-3-1)14-10-12-8-4-5-9-13(12)15-14/h1-10H
InChIKey
HXMZLDUBSSPQIB-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
15
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
61.65
TPSA
13.14

LogP / Solubility

WLOGP
4.1
MLOGP
3.61
XLogP3
4
Consensus LogP
3.9
Log S (ESOL)
-4.3
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.11
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.45
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-0.99

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H413 (100%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]
Precautionary Statement Codes
P264, P270, P273, P301+P317, P330, and P501

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