CAS RN: 1000341-40-1
3-BROMO-7-METHYL-5-AZAINDOLE
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.20260318 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1000341-40-1
- Purity/Analytical Methods: >99.0%
1000341-40-1 / 3-bromo-7-methyl-1H-pyrrolo[3,2-c]pyridine
1000341-40-1 | 3-bromo-7-methyl-1H-pyrrolo[3,2-c]pyridine | 3-Bromo-7-methyl-5-azaindole
Basic Information
CAS
1000341-40-1
Multi CAS
No
Molecular Formula
C8H7BrN2
Molecular Weight
211.060000
Exact Mass
209.979260
SMILES
CC1=CN=CC2=C1NC=C2Br
InChI
InChI=1S/C8H7BrN2/c1-5-2-10-3-6-7(9)4-11-8(5)6/h2-4,11H,1H3
InChIKey
WKMJXOXACYHNEA-UHFFFAOYSA-N
Synonyms
1000341-40-1
3-bromo-7-methyl-1H-pyrrolo[3,2-c]pyridine
3-Bromo-7-methyl-5-azaindole
1H-Pyrrolo[3,2-c]pyridine, 3-bromo-7-methyl-
DTXSID20646762
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
9
Fraction Csp3
0.12
H-bond acceptors
1
H-bond donors
1
Molar refractivity
48.53
TPSA
28.68
LogP / Solubility
WLOGP
2.63
MLOGP
2.32
XLogP3
2
Consensus LogP
2.32
Log S (ESOL)
-3.41
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.19
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.22
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)
-2.14
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
Customers Also Viewed
-
-
6-BROMO-4-FLUORO 1H-INDAZOLE-3-METHYCARBOXYLATE
- CAS RN: 1000341-53-6
- Product Code: SSC-000132
-
-
1H-Indole, 7-chloro-4-fluoro-
- CAS RN: 1000341-60-5
- Product Code: starshine_CAS1000341-60-5
- Purity/Analytical method: >99.0%
-
-
6-chloro-1H-pyrrolo[3,2-c]pyridine-3-carbaldehyde
- CAS RN: 1000341-64-9
- Product Code: SSC-000135
![CAS 1000341-55-8 6-chloro-3-iodo-1H-pyrrolo[3,2-c]pyridine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1000341-55-8.gif)
![CAS 1000341-61-6 3-broMo-6-chloro-1H-pyrrolo[3,2-c]pyridine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1000341-61-6.gif)
![CAS 1000341-64-9 6-chloro-1H-pyrrolo[3,2-c]pyridine-3-carbaldehyde molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1000341-64-9.gif)