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CAS 932406-36-5 1H-Pyrrolo[2,3-b]pyridine, 6-chloro-3-(trifluoroMethyl)- molecular structure lightbox
CAS RN: 932406-36-5

1H-Pyrrolo[2,3-b]pyridine, 6-chloro-3-(trifluoroMethyl)-

  • Product code: SSC-207240
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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 932406-36-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

932406-36-5 / 6-chloro-3-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine

Standard CAS: 932406-36-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
932406-36-5
Multi CAS
No
Molecular Formula
C8H4CLF3N2
Molecular Weight
220.580000
Exact Mass
220.001510
InChI
InChI=1S/C8H4ClF3N2/c9-6-2-1-4-5(8(10,11)12)3-13-7(4)14-6/h1-3H,(H,13,14)
InChIKey
BZGSFGFNHIPAIZ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
9
Fraction Csp3
0.12
H-bond acceptors
1
H-bond donors
1
Molar refractivity
46.11
TPSA
28.68

LogP / Solubility

WLOGP
3.24
MLOGP
2.85
XLogP3
3.2
Consensus LogP
3.1
Log S (ESOL)
-3.72
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.7
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.78
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)
-1.77

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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