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CAS 1000340-84-0 1-ACETYL-4-BROMO-7-AZAINDOLE molecular structure lightbox
CAS RN: 1000340-84-0

1-ACETYL-4-BROMO-7-AZAINDOLE

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250627 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS1000340-84-0
  • Purity/Analytical Methods: >99.0%
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1000340-84-0 / 1-(4-bromopyrrolo[2,3-b]pyridin-1-yl)ethanone

1000340-84-0 | 1-(4-Bromo-1H-pyrrolo[2,3-b]pyridin-1-yl)ethanone | 1-Acetyl-4-bromo-7-azaindole

Standard CAS: 1000340-84-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1000340-84-0
Multi CAS
No
Molecular Formula
C9H7BrN2O
Molecular Weight
239.070000
Exact Mass
237.974180
SMILES
CC(=O)N1C=CC2=C(C=CN=C21)Br
InChI
InChI=1S/C9H7BrN2O/c1-6(13)12-5-3-7-8(10)2-4-11-9(7)12/h2-5H,1H3
InChIKey
KARPOIXRSDZYFY-UHFFFAOYSA-N
Synonyms
1000340-84-0 1-(4-Bromo-1H-pyrrolo[2,3-b]pyridin-1-yl)ethanone 1-Acetyl-4-bromo-7-azaindole Ethanone, 1-(4-bromo-1H-pyrrolo[2,3-b]pyridin-1-yl)- 1-(4-bromopyrrolo[2,3-b]pyridin-1-yl)ethanone

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
9
Fraction Csp3
0.11
H-bond acceptors
3
Molar refractivity
53.73
TPSA
34.89

LogP / Solubility

WLOGP
2.46
MLOGP
2.17
XLogP3
1.8
Consensus LogP
2.14
Log S (ESOL)
-3.38
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.3
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.25
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)
-2.43

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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