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CAS 290832-31-4 3-(5-FLUORO-2-PHENYL-1H-INDOL-3-YL)PROPANOIC ACID molecular structure lightbox
CAS RN: 290832-31-4

3-(5-FLUORO-2-PHENYL-1H-INDOL-3-YL)PROPANOIC ACID

  • Product code: SSC-131302
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 0.1g, 0.25g, 1g, 5g, 10g
  • Available purity: ≥95%
  • Inventory rows with stock: 5
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 290832-31-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 3 In Stock Shanghai Inquiry
0.25g ≥95% 3 In Stock Hong Kong Inquiry
1g ≥95% 2 In Stock Hong Kong Inquiry
5g ≥95% 2 In Stock Shenzhen Inquiry
10g ≥95% 2 In Stock Shenzhen Inquiry

290832-31-4 / 3-(5-fluoro-2-phenyl-1H-indol-3-yl)propanoic acid

Standard CAS: 290832-31-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
290832-31-4
Multi CAS
No
Molecular Formula
C17FH14NO2
Molecular Weight
283.300000
Exact Mass
283.100857
InChI
InChI=1S/C17H14FNO2/c18-12-6-8-15-14(10-12)13(7-9-16(20)21)17(19-15)11-4-2-1-3-5-11/h1-6,8,10,19H,7,9H2,(H,20,21)
InChIKey
OLRWQHZTBMDOHC-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
21
Aromatic heavy atom count
15
Fraction Csp3
0.12
Rotatable bonds
4
H-bond acceptors
1
H-bond donors
2
Molar refractivity
79.65
TPSA
53.09

LogP / Solubility

WLOGP
3.99
MLOGP
3.52
XLogP3
3.6
Consensus LogP
3.7
Log S (ESOL)
-4.38
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.76
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.29
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)
-1.61

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5

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