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CAS 778649-60-8 Benzofuran,2-methyl-7-phenyl-(9CI) molecular structure lightbox
CAS RN: 778649-60-8

Benzofuran,2-methyl-7-phenyl-(9CI)

  • Product code: SSC-187407
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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 778649-60-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞95% 0 Out of Stock Shanghai Inquiry

778649-60-8 / 2-methyl-7-phenyl-1-benzofuran

Standard CAS: 778649-60-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
778649-60-8
Multi CAS
No
Molecular Formula
C15H12O
Molecular Weight
208.250000
Exact Mass
208.088815
InChI
InChI=1S/C15H12O/c1-11-10-13-8-5-9-14(15(13)16-11)12-6-3-2-4-7-12/h2-10H,1H3
InChIKey
GBVFFFWKJPRXDI-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
15
Fraction Csp3
0.07
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
66.39
TPSA
13.14

LogP / Solubility

WLOGP
4.41
MLOGP
3.88
XLogP3
4.4
Consensus LogP
4.23
Log S (ESOL)
-4.54
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.45
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.79
Class (SILICOS-IT)
Slightly soluble

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)
-0.86

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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