![CAS 441012-22-2 1-(4-BROMOPHENYL)-1H-PYRROLO[2,3-B]PYRIDINE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/441012-22-2.gif)
CAS RN: 441012-22-2
1-(4-BROMOPHENYL)-1H-PYRROLO[2,3-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.20250502 | 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS441012-22-2
- Purity/Analytical Methods: >99.0%
441012-22-2 / 1-(4-bromophenyl)pyrrolo[2,3-b]pyridine
Basic Information
CAS
441012-22-2
Multi CAS
No
Molecular Formula
BC13H9Rn2
Molecular Weight
273.130000
Exact Mass
271.994910
InChI
InChI=1S/C13H9BrN2/c14-11-3-5-12(6-4-11)16-9-7-10-2-1-8-15-13(10)16/h1-9H
InChIKey
XNSOMQRWWIHHGW-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
15
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
68.77
TPSA
17.82
LogP / Solubility
WLOGP
3.79
MLOGP
3.34
XLogP3
3.6
Consensus LogP
3.58
Log S (ESOL)
-4.55
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.53
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.7
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.7
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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