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CAS 1190318-20-7 7-BroMo-3-iodo-6-azaindole molecular structure lightbox
CAS RN: 1190318-20-7

7-BroMo-3-iodo-6-azaindole

  • Product code: SSC-019395
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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 1190318-20-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

1190318-20-7 / 7-bromo-3-iodo-1H-pyrrolo[2,3-c]pyridine

7-bromo-3-iodo-1H-pyrrolo[2,3-c]pyridine | 7-BROMO-3-IODO-6-AZAINDOLE | 1H-Pyrrolo[2,3-c]pyridine, 7-bromo-3-iodo-

Standard CAS: 1190318-20-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1190318-20-7
Multi CAS
No
Molecular Formula
C7H4BrIN2
Molecular Weight
322.930000
Exact Mass
321.860260
SMILES
C1=CN=C(C2=C1C(=CN2)I)Br
InChI
InChI=1S/C7H4BrIN2/c8-7-6-4(1-2-10-7)5(9)3-11-6/h1-3,11H
InChIKey
NXUWBVUOGALNID-UHFFFAOYSA-N
Synonyms
7-bromo-3-iodo-1H-pyrrolo[2,3-c]pyridine 7-BROMO-3-IODO-6-AZAINDOLE 1H-Pyrrolo[2,3-c]pyridine, 7-bromo-3-iodo- MFCD12963303 AKOS025287219

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
9
H-bond acceptors
1
H-bond donors
1
Molar refractivity
56.51
TPSA
28.68

LogP / Solubility

WLOGP
2.93
MLOGP
2.59
XLogP3
2.7
Consensus LogP
2.74
Log S (ESOL)
-4.29
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.32
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.19
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.61

Drug-likeness / Medicinal Chemistry

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

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