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CAS 1190322-59-8 4-AMino-3-broMo-7-azaindole molecular structure lightbox
CAS RN: 1190322-59-8

4-AMino-3-broMo-7-azaindole

  • Product code: SSC-019460
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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 1190322-59-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

1190322-59-8 / 3-bromo-1H-pyrrolo[2,3-b]pyridin-4-amine

3-bromo-1H-pyrrolo[2,3-b]pyridin-4-amine | MFCD12962723 | 1H-Pyrrolo[2,3-b]pyridin-4-amine, 3-bromo-

Standard CAS: 1190322-59-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1190322-59-8
Multi CAS
No
Molecular Formula
C7H6BrN3
Molecular Weight
212.050000
Exact Mass
210.974510
SMILES
C1=CN=C2C(=C1N)C(=CN2)Br
InChI
InChI=1S/C7H6BrN3/c8-4-3-11-7-6(4)5(9)1-2-10-7/h1-3H,(H3,9,10,11)
InChIKey
FLCYLEYQRVGIDA-UHFFFAOYSA-N
Synonyms
3-bromo-1H-pyrrolo[2,3-b]pyridin-4-amine MFCD12962723 1H-Pyrrolo[2,3-b]pyridin-4-amine, 3-bromo- 3-Bromo-7-azaindole-4-amine DTXSID601274414

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
1.3
Consensus LogP
1.63
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
Leadlikeness
No
Synthetic Accessibility
1.5

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