![CAS 1246554-16-4 2-BROMO-1H-PYRROLO[3,2-B]PYRIDINE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1246554-16-4.gif)
CAS RN: 1246554-16-4
2-BROMO-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.20260514 | 50mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1246554-16-4
- Purity/Analytical Methods: >99.0%
1246554-16-4 / 2-bromo-1H-pyrrolo[3,2-b]pyridine
Basic Information
CAS
1246554-16-4
Multi CAS
No
Molecular Formula
C7H5BrN2
Molecular Weight
197.030000
Exact Mass
195.963610
SMILES
C1=CC2=C(C=C(N2)Br)N=C1
InChI
InChI=1S/C7H5BrN2/c8-7-4-6-5(10-7)2-1-3-9-6/h1-4,10H
InChIKey
HSQDKLUVXQKFHE-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Aromatic heavy atom count
9
H-bond acceptors
1
H-bond donors
1
Molar refractivity
43.79
TPSA
28.68
LogP / Solubility
WLOGP
2.33
MLOGP
2.05
XLogP3
2.1
Consensus LogP
2.16
Log S (ESOL)
-3.19
Class (ESOL)
Poorly soluble
Log S (Ali)
-2.85
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.87
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.27
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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