![CAS 1190316-90-5 2H-Pyrrolo[2,3-b]pyridin-2-one,5-broMo-1,3-dihydro-6-Methoxy- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1190316-90-5.gif)
CAS RN: 1190316-90-5
2H-Pyrrolo[2,3-b]pyridin-2-one,5-broMo-1,3-dihydro-6-Methoxy-
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.20250214 | 100mg / 1g / 5g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1190316-90-5
- Purity/Analytical Methods: >99.0%
1190316-90-5 / 5-bromo-6-methoxy-1,3-dihydropyrrolo[2,3-b]pyridin-2-one
5-bromo-6-methoxy-1,3-dihydropyrrolo[2,3-b]pyridin-2-one | MFCD12962868 | 2H-Pyrrolo[2,3-b]pyridin-2-one, 5-bromo-1,3-dihydro-6-methoxy-
Basic Information
CAS
1190316-90-5
Multi CAS
No
Molecular Formula
C8H7BrN2O2
Molecular Weight
243.060000
Exact Mass
241.969090
SMILES
COC1=C(C=C2CC(=O)NC2=N1)Br
InChI
InChI=1S/C8H7BrN2O2/c1-13-8-5(9)2-4-3-6(12)10-7(4)11-8/h2H,3H2,1H3,(H,10,11,12)
InChIKey
RMWSFLXJOSRZNW-UHFFFAOYSA-N
Synonyms
5-bromo-6-methoxy-1,3-dihydropyrrolo[2,3-b]pyridin-2-one
MFCD12962868
2H-Pyrrolo[2,3-b]pyridin-2-one, 5-bromo-1,3-dihydro-6-methoxy-
5-Bromo-1,3-dihydro-6-methoxy-2H-pyrrolo[2,3-b]pyridin-2-one
5-Bromo-6-methoxy-1H-pyrrolo[2,3-b]pyridin-2(3H)-one
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
50.82
TPSA
51.22
LogP / Solubility
WLOGP
1.35
MLOGP
1.19
XLogP3
1
Consensus LogP
1.18
Log S (ESOL)
-2.47
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.53
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.48
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.25
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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- CAS RN: 1190317-09-9
- Product Code: starshine_CAS1190317-09-9
- Purity/Analytical method: >99.0%
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7-Methoxy-1H-pyrrolo[2,3-c]pyridine-3-carboxylic acid
- CAS RN: 1190317-17-9
- Product Code: SSC-019381
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![CAS 1190317-09-9 2-Oxo-2H-pyrrolo[2,3-b]pyridine-6-carbonitrile molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1190317-09-9.gif)
![CAS 1190317-17-9 7-Methoxy-1H-pyrrolo[2,3-c]pyridine-3-carboxylic acid molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1190317-17-9.gif)
