CAS RN: 1190310-96-3
5-Chloro-3-iodo-7-Methyl-4-azaindole
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250213 | 100mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1190310-96-3
- Purity/Analytical Methods: >99.0%
1190310-96-3 / 5-chloro-3-iodo-7-methyl-1H-pyrrolo[3,2-b]pyridine
5-chloro-3-iodo-7-methyl-1H-pyrrolo[3,2-b]pyridine | MFCD12963391 | 5-Chloro-7-methyl-3-iodo-4-azaindole
Basic Information
CAS
1190310-96-3
Multi CAS
No
Molecular Formula
C8H6ClIN2
Molecular Weight
292.500000
Exact Mass
291.926420
SMILES
CC1=CC(=NC2=C1NC=C2I)Cl
InChI
InChI=1S/C8H6ClIN2/c1-4-2-6(9)12-8-5(10)3-11-7(4)8/h2-3,11H,1H3
InChIKey
MKMQSFCUYKVDHE-UHFFFAOYSA-N
Synonyms
5-chloro-3-iodo-7-methyl-1H-pyrrolo[3,2-b]pyridine
MFCD12963391
5-Chloro-7-methyl-3-iodo-4-azaindole
G90402
1H-Pyrrolo[3,2-b]pyridine, 5-chloro-3-iodo-7-methyl-
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
58.56
TPSA
28.68
LogP / Solubility
WLOGP
3.13
MLOGP
2.76
XLogP3
3
Consensus LogP
2.96
Log S (ESOL)
-4.18
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.22
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.16
Class (SILICOS-IT)
Slightly 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)
-2.28
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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![CAS 1190311-44-4 6-(Trifluoromethyl)-1H-pyrrolo[3,2-b]pyridine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1190311-44-4.gif)
