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CAS 1190320-16-1 3-BroMo-5-(trifluoroMethyl)-4-azaindole molecular structure lightbox
CAS RN: 1190320-16-1

3-BroMo-5-(trifluoroMethyl)-4-azaindole

  • Product code: SSC-019428
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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 1190320-16-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

1190320-16-1 / 3-bromo-5-(trifluoromethyl)-1H-pyrrolo[3,2-b]pyridine

3-bromo-5-(trifluoromethyl)-1H-pyrrolo[3,2-b]pyridine | 1H-Pyrrolo[3,2-b]pyridine, 3-bromo-5-(trifluoromethyl)- | MFCD12962602

Standard CAS: 1190320-16-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1190320-16-1
Multi CAS
No
Molecular Formula
C8H4BrF3N2
Molecular Weight
265.030000
Exact Mass
263.951000
SMILES
C1=CC(=NC2=C1NC=C2Br)C(F)(F)F
InChI
InChI=1S/C8H4BrF3N2/c9-4-3-13-5-1-2-6(8(10,11)12)14-7(4)5/h1-3,13H
InChIKey
IPMFTOAKMLJDLY-UHFFFAOYSA-N
Synonyms
3-bromo-5-(trifluoromethyl)-1H-pyrrolo[3,2-b]pyridine 1H-Pyrrolo[3,2-b]pyridine, 3-bromo-5-(trifluoromethyl)- MFCD12962602 3-BROMO-5-(TRIFLUOROMETHYL)-4-AZAINDOLE SCHEMBL14630098

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
48.8
TPSA
28.68

LogP / Solubility

WLOGP
3.34
MLOGP
2.95
XLogP3
2.7
Consensus LogP
3
Log S (ESOL)
-4.07
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.15
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.16
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)
-1.96

Drug-likeness / Medicinal Chemistry

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

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