CAS RN: 1190317-82-8
5-BroMo-4-azaindole-3-carbaldehyde
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.20251218 | 100mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1190317-82-8
- Purity/Analytical Methods: >99.0%
1190317-82-8 / 5-bromo-1H-pyrrolo[3,2-b]pyridine-3-carbaldehyde
5-bromo-1H-pyrrolo[3,2-b]pyridine-3-carboxaldehyde | 5-Bromo-1H-pyrrolo(3,2-b)pyridine-3-carboxaldehyde | RefChem:301477
Basic Information
CAS
1190317-82-8
Multi CAS
No
Molecular Formula
C8H5BrN2O
Molecular Weight
225.040000
Exact Mass
223.958530
SMILES
C1=CC(=NC2=C1NC=C2C=O)Br
InChI
InChI=1S/C8H5BrN2O/c9-7-2-1-6-8(11-7)5(4-12)3-10-6/h1-4,10H
InChIKey
PUIOZFSCPRTSQS-UHFFFAOYSA-N
Synonyms
5-bromo-1H-pyrrolo[3,2-b]pyridine-3-carboxaldehyde
5-Bromo-1H-pyrrolo(3,2-b)pyridine-3-carboxaldehyde
RefChem:301477
5-bromo-1H-pyrrolo[3,2-b]pyridine-3-carbaldehyde
1H-Pyrrolo[3,2-b]pyridine-3-carboxaldehyde, 5-bromo-
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
9
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
49.18
TPSA
45.75
LogP / Solubility
WLOGP
2.14
MLOGP
1.88
XLogP3
1.6
Consensus LogP
1.87
Log S (ESOL)
-3.07
Class (ESOL)
Poorly soluble
Log S (Ali)
-2.95
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.02
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)
-2.57
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
Safety & Transport
Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Customers Also Viewed
-
![CAS 1190317-85-1 3-broMo-6-chloro-1H-pyrrolo[3,2-b]pyridine molecular structure](data:image/svg+xml,%3Csvg%20xmlns='http://www.w3.org/2000/svg'%20viewBox='0%200%200%200'%3E%3C/svg%3E)
3-broMo-6-chloro-1H-pyrrolo[3,2-b]pyridine
- CAS RN: 1190317-85-1
- Product Code: starshine_CAS1190317-85-1
- Purity/Analytical method: >99.0%
-
-
5-chloro-4-fluoro-1H-pyrrolo[2,3-b]pyridine
- CAS RN: 1190317-94-2
- Product Code: SSC-019392
-
-
3-bromo-7-chloro-1H-pyrrolo[2,3-c]pyridine
- CAS RN: 1190318-02-5
- Product Code: starshine_CAS1190318-02-5
- Purity/Analytical method: >99.0%
-
3-Chloro-5-nitro-7-azaindole
- CAS RN: 1190318-05-8
- Product Code: starshine_CAS1190318-05-8
- Purity/Analytical method: >99.0%
![CAS 1190317-85-1 3-broMo-6-chloro-1H-pyrrolo[3,2-b]pyridine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1190317-85-1.gif)
![CAS 1190317-86-2 6-Methoxy-1H-pyrrolo[3,2-b]pyridine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1190317-86-2.gif)
![CAS 1190317-94-2 5-chloro-4-fluoro-1H-pyrrolo[2,3-b]pyridine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1190317-94-2.gif)
![CAS 1190318-02-5 3-bromo-7-chloro-1H-pyrrolo[2,3-c]pyridine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1190318-02-5.gif)
