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CAS 480423-17-4 N-Tosyl-4-bromo-2-iodo-7-azaindole molecular structure lightbox
CAS RN: 480423-17-4

N-Tosyl-4-bromo-2-iodo-7-azaindole

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2 package records1 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20250602 250mg Out of stock Inquiry
Batchno.20250812 50mg In stock Inquiry
  • Product code: starshine_CAS480423-17-4
  • Purity/Analytical Methods: >99.0%
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480423-17-4 / 4-bromo-2-iodo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine

Standard CAS: 480423-17-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
480423-17-4
Multi CAS
Yes
Molecular Formula
C14H10BRIN2O2S
Molecular Weight
477.120000
Exact Mass
475.869110
InChI
InChI=1S/C14H10BrIN2O2S/c1-9-2-4-10(5-3-9)21(19,20)18-13(16)8-11-12(15)6-7-17-14(11)18/h2-8H,1H3
InChIKey
KYVSBRIXLHDOBQ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
21
Aromatic heavy atom count
15
Fraction Csp3
0.07
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
93.91
TPSA
51.96

LogP / Solubility

WLOGP
3.95
MLOGP
3.51
XLogP3
4.2
Consensus LogP
3.89
Log S (ESOL)
-5.68
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.32
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.28
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.83

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

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