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CAS 1260385-43-0 3-Iodo-6-Methyl-4-azaindole molecular structure lightbox
CAS RN: 1260385-43-0

3-Iodo-6-Methyl-4-azaindole

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251213 100mg / 250mg Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS1260385-43-0
  • Purity/Analytical Methods: >99.0%
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1260385-43-0 / 3-iodo-6-methyl-1H-pyrrolo[3,2-b]pyridine

Standard CAS: 1260385-43-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1260385-43-0
Multi CAS
No
Molecular Formula
C8H7IN2
Molecular Weight
258.060000
Exact Mass
257.965400
SMILES
CC1=CC2=C(C(=CN2)I)N=C1
InChI
InChI=1S/C8H7IN2/c1-5-2-7-8(11-3-5)6(9)4-10-7/h2-4,10H,1H3
InChIKey
ITOQYJFSUODNQL-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
9
Fraction Csp3
0.12
H-bond acceptors
1
H-bond donors
1
Molar refractivity
53.55
TPSA
28.68

LogP / Solubility

WLOGP
2.48
MLOGP
2.19
XLogP3
2.1
Consensus LogP
2.26
Log S (ESOL)
-3.61
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.46
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.39
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.54

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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