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CAS 1190313-99-5 5-BroMo-3-iodo-4-Methyl-7-azaindole molecular structure lightbox
CAS RN: 1190313-99-5

5-BroMo-3-iodo-4-Methyl-7-azaindole

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251013 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS1190313-99-5
  • Purity/Analytical Methods: >99.0%
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1190313-99-5 / 5-bromo-3-iodo-4-methyl-1H-pyrrolo[2,3-b]pyridine

5-bromo-3-iodo-4-methyl-1H-pyrrolo[2,3-b]pyridine | 5-BROMO-3-IODO-4-METHYL-7-AZAINDOLE | MFCD12962767

Standard CAS: 1190313-99-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1190313-99-5
Multi CAS
No
Molecular Formula
C8H6BrIN2
Molecular Weight
336.950000
Exact Mass
335.875910
SMILES
CC1=C2C(=CNC2=NC=C1Br)I
InChI
InChI=1S/C8H6BrIN2/c1-4-5(9)2-11-8-7(4)6(10)3-12-8/h2-3H,1H3,(H,11,12)
InChIKey
FWYNMYZWKQDRNR-UHFFFAOYSA-N
Synonyms
5-bromo-3-iodo-4-methyl-1H-pyrrolo[2,3-b]pyridine 5-BROMO-3-IODO-4-METHYL-7-AZAINDOLE MFCD12962767 1H-Pyrrolo[2,3-b]pyridine, 5-bromo-3-iodo-4-methyl- SCHEMBL20396265

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
9
Fraction Csp3
0.12
H-bond acceptors
1
H-bond donors
1
Molar refractivity
61.25
TPSA
28.68

LogP / Solubility

WLOGP
3.24
MLOGP
2.87
XLogP3
3
Consensus LogP
3.04
Log S (ESOL)
-4.52
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.66
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.54
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)
-2.48

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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