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CAS 68290-36-8 2-(3,4-DIFLUOROPHENYL)INDOLE molecular structure lightbox
CAS RN: 68290-36-8

2-(3,4-DIFLUOROPHENYL)INDOLE

  • Product code: SSC-178024
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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 68290-36-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞95% 0 Out of Stock Beijing Inquiry

68290-36-8 / 2-(3,4-difluorophenyl)-1H-indole

Standard CAS: 68290-36-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
68290-36-8
Multi CAS
Yes
Molecular Formula
C14F2H9N
Molecular Weight
229.220000
Exact Mass
229.070306
InChI
InChI=1S/C14H9F2N/c15-11-6-5-10(7-12(11)16)14-8-9-3-1-2-4-13(9)17-14/h1-8,17H
InChIKey
KCJSNAZSJSHQCC-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
15
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
63.65
TPSA
15.79

LogP / Solubility

WLOGP
4.11
MLOGP
3.62
XLogP3
3.9
Consensus LogP
3.88
Log S (ESOL)
-4.44
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.41
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.68
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)
-1.2

Drug-likeness / Medicinal Chemistry

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

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