![CAS 2089314-91-8 1H-Pyrrolo[3,2-c]pyridine, 4,6-dibromo- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2089314-91-8.png)
CAS RN: 2089314-91-8
1H-Pyrrolo[3,2-c]pyridine, 4,6-dibromo-
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.20260115 | 50mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS2089314-91-8
- Purity/Analytical Methods: >99.0%
2089314-91-8 / 4,6-dibromo-1H-pyrrolo[3,2-c]pyridine
Basic Information
CAS
2089314-91-8
Multi CAS
No
Molecular Formula
C7H4Br2N2
Molecular Weight
275.930000
Exact Mass
275.872070
SMILES
C1=CNC2=CC(=NC(=C21)Br)Br
InChI
InChI=1S/C7H4Br2N2/c8-6-3-5-4(1-2-10-5)7(9)11-6/h1-3,10H
InChIKey
ODXWYYOFMFEKAW-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
9
H-bond acceptors
1
H-bond donors
1
Molar refractivity
51.49
TPSA
28.68
LogP / Solubility
WLOGP
3.09
MLOGP
2.73
XLogP3
3
Consensus LogP
2.94
Log S (ESOL)
-4.1
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.05
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.02
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)
-2.21
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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