[email protected]
CAS 1540463-21-5 6-(Trifluoromethyl)imidazo[1,2-a]pyridine-3-propanoic Acid molecular structure lightbox
CAS RN: 1540463-21-5

6-(Trifluoromethyl)imidazo[1,2-a]pyridine-3-propanoic Acid

  • Product code: SSC-063434
GET A QUOTE
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, 1g, 5g, 0.25g
  • Available purity: ≥95%
  • Inventory rows with stock: 4
  • Bulk packaging: confirmed by inquiry
Request Bulk Quote

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 1540463-21-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 5 In Stock Shanghai Inquiry
1g ≥95% 5 In Stock Hong Kong Inquiry
5g ≥95% 2 In Stock Shenzhen Inquiry
0.25g ≥95% 1 In Stock Shenzhen Inquiry

1540463-21-5 / 3-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]propanoic acid

Standard CAS: 1540463-21-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1540463-21-5
Multi CAS
No
Molecular Formula
C11H9F3N2O2
Molecular Weight
258.200000
Exact Mass
258.061612
SMILES
C1=CC2=NC=C(N2C=C1C(F)(F)F)CCC(=O)O
InChI
InChI=1S/C11H9F3N2O2/c12-11(13,14)7-1-3-9-15-5-8(16(9)6-7)2-4-10(17)18/h1,3,5-6H,2,4H2,(H,17,18)
InChIKey
UWCPSCLZPRVXIN-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
9
Fraction Csp3
0.27
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
56.15
TPSA
54.6

LogP / Solubility

WLOGP
2.37
MLOGP
2.09
XLogP3
2.4
Consensus LogP
2.29
Log S (ESOL)
-3.11
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.39
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.67
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.61

Drug-likeness / Medicinal Chemistry

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

Customers Also Viewed

Get In Touch

Contact Us