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CAS 1171920-15-2 5-(TrifluoroMethyl)-7-azaindole-3-carboxylic acid molecular structure lightbox
CAS RN: 1171920-15-2

5-(TrifluoroMethyl)-7-azaindole-3-carboxylic acid

Product Availability

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3 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260107 100mg In stock Shanghai, Shenzhen Inquiry
Batchno.20250604 1g In stock Shanghai, Shenzhen Inquiry
Batchno.20260429 250mg In stock Shanghai, Shenzhen, Wuhan, Chengdu Inquiry
  • Product code: SSC-017048
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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 1171920-15-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞95% 0 Out of Stock Shenzhen Inquiry

1171920-15-2 / 5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid

5-(Trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid | MFCD12922778 | 1H-Pyrrolo[2,3-b]pyridine-3-carboxylic acid, 5-(trifluoromethyl)-

Standard CAS: 1171920-15-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1171920-15-2
Multi CAS
No
Molecular Formula
C9H5F3N2O2
Molecular Weight
230.140000
Exact Mass
230.030312
SMILES
C1=C(C=NC2=C1C(=CN2)C(=O)O)C(F)(F)F
InChI
InChI=1S/C9H5F3N2O2/c10-9(11,12)4-1-5-6(8(15)16)3-14-7(5)13-2-4/h1-3H,(H,13,14)(H,15,16)
InChIKey
RYRSBBCTBCSZAK-UHFFFAOYSA-N
Synonyms
5-(Trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid MFCD12922778 1H-Pyrrolo[2,3-b]pyridine-3-carboxylic acid, 5-(trifluoromethyl)- 5-(TRIFLUOROMETHYL)-7-AZAINDOLE-3-CARBOXYLIC ACID DTXSID00674068

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
9
Fraction Csp3
0.11
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
48.05
TPSA
65.98

LogP / Solubility

WLOGP
2.28
MLOGP
2.01
XLogP3
1.7
Consensus LogP
2
Log S (ESOL)
-3.05
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.09
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.17
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)
-2.51

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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