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CAS 145133-64-8 2-(4-fluorophenyl)-1-methyl-1H-indole molecular structure lightbox
CAS RN: 145133-64-8

2-(4-fluorophenyl)-1-methyl-1H-indole

  • Product code: SSC-056512
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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 145133-64-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

145133-64-8 / 2-(4-fluorophenyl)-1-methylindole

Standard CAS: 145133-64-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
145133-64-8
Multi CAS
No
Molecular Formula
C15H12FN
Molecular Weight
225.260000
Exact Mass
225.095378
SMILES
CN1C2=CC=CC=C2C=C1C3=CC=C(C=C3)F
InChI
InChI=1S/C15H12FN/c1-17-14-5-3-2-4-12(14)10-15(17)11-6-8-13(16)9-7-11/h2-10H,1H3
InChIKey
AEBBWDDJENROAM-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
15
Fraction Csp3
0.07
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
68.31
TPSA
4.93

LogP / Solubility

WLOGP
3.98
MLOGP
3.51
XLogP3
4.2
Consensus LogP
3.9
Log S (ESOL)
-4.33
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.28
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.55
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)
-1.27

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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