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CAS 883523-01-1 7-CHLORO-4-(TRIFLUOROMETHYL)-1H-INDOLE-2-CARBOXYLIC ACID molecular structure lightbox
CAS RN: 883523-01-1

7-CHLORO-4-(TRIFLUOROMETHYL)-1H-INDOLE-2-CARBOXYLIC ACID

  • Product code: SSC-198933
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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 883523-01-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

883523-01-1 / 7-chloro-4-(trifluoromethyl)-1H-indole-2-carboxylic acid

Standard CAS: 883523-01-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
883523-01-1
Multi CAS
No
Molecular Formula
C10H5CLF3NO2
Molecular Weight
263.600000
Exact Mass
262.996091
InChI
InChI=1S/C10H5ClF3NO2/c11-6-2-1-5(10(12,13)14)4-3-7(9(16)17)15-8(4)6/h1-3,15H,(H,16,17)
InChIKey
QWNKFHSKFIOVSK-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
9
Fraction Csp3
0.1
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
2
Molar refractivity
55.27
TPSA
53.09

LogP / Solubility

WLOGP
3.54
MLOGP
3.12
XLogP3
3.4
Consensus LogP
3.35
Log S (ESOL)
-4.03
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.28
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.43
Class (SILICOS-IT)
Slightly 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)
-1.82

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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