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CAS 238-84-6 1,2-Benzofluorene molecular structure lightbox
CAS RN: 238-84-6

1,2-Benzofluorene

  • Product code: SSC-115891
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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 238-84-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

238-84-6 / 11H-benzo[a]fluorene

Standard CAS: 238-84-6 Multi CAS: No
Basic Information Physical Properties Computed Properties

Basic Information

CAS
238-84-6
Multi CAS
No
Molecular Formula
C17H12
Molecular Weight
216.280000
Exact Mass
216.093900
SMILES
C1C2=CC=CC=C2C3=C1C4=CC=CC=C4C=C3
InChI
InChI=1S/C17H12/c1-3-7-14-12(5-1)9-10-16-15-8-4-2-6-13(15)11-17(14)16/h1-10H,11H2
InChIKey
HKMTVMBEALTRRR-UHFFFAOYSA-N

Physical Properties

Melting Point
189.6 °C 189 °C
Boiling Point
405 °C 399 °C
Physical Description
Colorless solid; [ICSC] Plate-like crystals, insoluble in water; COLOURLESS PLATE-LIKE CRYSTALS.
Appearance
White or off-white powder Platelets from acetone or acetic acid Colorless plate like crystals Beige powder[Sigma-Aldrich; Product Information for 11H-Benzo
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
16
Fraction Csp3
0.06
Molar refractivity
72.19
TPSA
0.0000

LogP / Solubility

WLOGP
4.41
MLOGP
3.88
XLogP3
5.7
Consensus LogP
4.66
Log S (ESOL)
-4.66
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.52
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.73
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)
-0.91

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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