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CAS 2144477-88-1 2-(2h-indazol-6-yloxy)acetic acid trifluoroacetate molecular structure lightbox
CAS RN: 2144477-88-1

2-(2h-indazol-6-yloxy)acetic acid trifluoroacetate

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250326 100mg / 250mg / 500mg Out of stock 1 business days Inquiry
  • Product code: SSC-102812
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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 2144477-88-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

2144477-88-1 / 2-(1H-indazol-6-yloxy)acetic acid;2,2,2-trifluoroacetic acid

Standard CAS: 2144477-88-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2144477-88-1
Multi CAS
No
Molecular Formula
C11H9F3N2O5
Molecular Weight
306.190000
Exact Mass
306.046356
SMILES
C1=CC2=C(C=C1OCC(=O)O)NN=C2.C(=O)(C(F)(F)F)O
InChI
InChI=1S/C9H8N2O3.C2HF3O2/c12-9(13)5-14-7-2-1-6-4-10-11-8(6)3-7;3-2(4,5)1(6)7/h1-4H,5H2,(H,10,11)(H,12,13);(H,6,7)
InChIKey
XFKZYBQQVDOYLT-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
21
Aromatic heavy atom count
9
Fraction Csp3
0.18
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
3
Molar refractivity
62.92
TPSA
112.51

LogP / Solubility

WLOGP
1.66
MLOGP
1.47
XLogP3
1.66
Consensus LogP
1.6
Log S (ESOL)
-2.9
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.27
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.39
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.41

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2.5

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