![CAS 1190317-85-1 3-broMo-6-chloro-1H-pyrrolo[3,2-b]pyridine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1190317-85-1.gif)
CAS RN: 1190317-85-1
3-broMo-6-chloro-1H-pyrrolo[3,2-b]pyridine
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.20250824 | 100mg / 250mg / 500mg | Out of stock | 1 business days | Inquiry |
- Product code: starshine_CAS1190317-85-1
- Purity/Analytical Methods: >99.0%
1190317-85-1 / 3-bromo-6-chloro-1H-pyrrolo[3,2-b]pyridine
3-bromo-6-chloro-1h-pyrrolo[3,2-b]pyridine | MFCD12963025 | 1H-Pyrrolo[3,2-b]pyridine, 3-bromo-6-chloro-
Basic Information
CAS
1190317-85-1
Multi CAS
No
Molecular Formula
C7H4BrClN2
Molecular Weight
231.480000
Exact Mass
229.924640
SMILES
C1=C(C=NC2=C1NC=C2Br)Cl
InChI
InChI=1S/C7H4BrClN2/c8-5-3-10-6-1-4(9)2-11-7(5)6/h1-3,10H
InChIKey
PCNBZQBBFVMANE-UHFFFAOYSA-N
Synonyms
3-bromo-6-chloro-1h-pyrrolo[3,2-b]pyridine
MFCD12963025
1H-Pyrrolo[3,2-b]pyridine, 3-bromo-6-chloro-
3-BROMO-6-CHLORO-4-AZAINDOLE
DTXSID101265880
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
9
H-bond acceptors
1
H-bond donors
1
Molar refractivity
48.8
TPSA
28.68
LogP / Solubility
WLOGP
2.98
MLOGP
2.63
XLogP3
2.4
Consensus LogP
2.67
Log S (ESOL)
-3.76
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.61
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.64
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)
-2.02
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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