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CAS 1000342-07-3 7-BROMO-4-CHLORO-3-IODO-5-AZAINDOLE molecular structure lightbox
CAS RN: 1000342-07-3

7-BROMO-4-CHLORO-3-IODO-5-AZAINDOLE

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260208 50mg / 100mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS1000342-07-3
  • Purity/Analytical Methods: >99.0%
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1000342-07-3 / 7-bromo-4-chloro-3-iodo-1H-pyrrolo[3,2-c]pyridine

7-Bromo-4-chloro-3-iodo-1H-pyrrolo[3,2-c]pyridine | 1000342-07-3 | 1H-Pyrrolo[3,2-c]pyridine, 7-bromo-4-chloro-3-iodo-

Standard CAS: 1000342-07-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1000342-07-3
Multi CAS
No
Molecular Formula
C7H3BrClIN2
Molecular Weight
357.370000
Exact Mass
355.821290
SMILES
C1=C(C2=C(N1)C(=CN=C2Cl)Br)I
InChI
InChI=1S/C7H3BrClIN2/c8-3-1-12-7(9)5-4(10)2-11-6(3)5/h1-2,11H
InChIKey
RBOBRJRXABXCHV-UHFFFAOYSA-N
Synonyms
7-Bromo-4-chloro-3-iodo-1H-pyrrolo[3,2-c]pyridine 1000342-07-3 1H-Pyrrolo[3,2-c]pyridine, 7-bromo-4-chloro-3-iodo- 7-Bromo-4-chloro-3-iodo-5-azaindole DTXSID50646790

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
9
H-bond acceptors
1
H-bond donors
1
Molar refractivity
61.52
TPSA
28.68

LogP / Solubility

WLOGP
3.58
MLOGP
3.17
XLogP3
3.3
Consensus LogP
3.35
Log S (ESOL)
-4.87
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.08
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.96
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
Yes
Log Kp (skin permeation)
-2.36

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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