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CAS 1000340-72-6 4-AMINO-6-BROMO-7-AZAINDOLE molecular structure lightbox
CAS RN: 1000340-72-6

4-AMINO-6-BROMO-7-AZAINDOLE

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260526 100mg Out of stock 1 business days Inquiry
  • Product code: starshine_CAS1000340-72-6
  • Purity/Analytical Methods: >99.0%
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1000340-72-6 / 6-bromo-1H-pyrrolo[2,3-b]pyridin-4-amine

6-Bromo-1H-pyrrolo[2,3-b]pyridin-4-amine | 1000340-72-6 | 4-Amino-6-bromo-7-azaindole

Standard CAS: 1000340-72-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1000340-72-6
Multi CAS
Yes
Molecular Formula
C7H6BrN3
Molecular Weight
212.050000
Exact Mass
210.974510
SMILES
C1=CNC2=C1C(=CC(=N2)Br)N
InChI
InChI=1S/C7H6BrN3/c8-6-3-5(9)4-1-2-10-7(4)11-6/h1-3H,(H3,9,10,11)
InChIKey
WIPJXNLJOYTTKC-UHFFFAOYSA-N
Synonyms
6-Bromo-1H-pyrrolo[2,3-b]pyridin-4-amine 1000340-72-6 4-Amino-6-bromo-7-azaindole MFCD09880154 SCHEMBL17798159

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
9
H-bond acceptors
2
H-bond donors
2
Molar refractivity
48.21
TPSA
54.7

LogP / Solubility

WLOGP
1.91
MLOGP
1.68
XLogP3
1.7
Consensus LogP
1.76
Log S (ESOL)
-2.96
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.68
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.62
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.66

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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