![CAS 90929-73-0 Ethanone, 2-bromo-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/90929-73-0.gif)
CAS RN: 90929-73-0
Ethanone, 2-bromo-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)-
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260420 | 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS90929-73-0
- Purity/Analytical Methods: >99.0%
90929-73-0 / 2-bromo-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone
Basic Information
CAS
90929-73-0
Multi CAS
Yes
Molecular Formula
BC9H7ORn2
Molecular Weight
239.070000
Exact Mass
237.974180
InChI
InChI=1S/C9H7BrN2O/c10-4-8(13)7-5-12-9-6(7)2-1-3-11-9/h1-3,5H,4H2,(H,11,12)
InChIKey
HRNCQDZUEOUQJP-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
9
Fraction Csp3
0.11
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
54.22
TPSA
45.75
LogP / Solubility
WLOGP
2.14
MLOGP
1.89
XLogP3
1.8
Consensus LogP
1.94
Log S (ESOL)
-3.05
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.07
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.23
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)
-2.66
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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