![CAS 145934-65-2 1H-Pyrrolo[2,3-b]pyridine, 5-broMo-2,3-diMethyl- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/145934-65-2.gif)
CAS RN: 145934-65-2
1H-Pyrrolo[2,3-b]pyridine, 5-broMo-2,3-diMethyl-
- Product code: SSC-057101
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 1g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Shanghai | Inquiry |
145934-65-2 / 5-bromo-2,3-dimethyl-1H-pyrrolo[2,3-b]pyridine
Basic Information
CAS
145934-65-2
Multi CAS
No
Molecular Formula
C9H9BrN2
Molecular Weight
225.080000
Exact Mass
223.994910
SMILES
CC1=C(NC2=C1C=C(C=N2)Br)C
InChI
InChI=1S/C9H9BrN2/c1-5-6(2)12-9-8(5)3-7(10)4-11-9/h3-4H,1-2H3,(H,11,12)
InChIKey
BWVALHHPIDZABX-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
9
Fraction Csp3
0.22
H-bond acceptors
1
H-bond donors
1
Molar refractivity
53.27
TPSA
28.68
LogP / Solubility
WLOGP
2.94
MLOGP
2.59
XLogP3
2.8
Consensus LogP
2.78
Log S (ESOL)
-3.64
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.53
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.57
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
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
-
![CAS 145934-81-2 1H-Pyrrolo[2,3-b]pyridine, 5-chloro-2-methyl- molecular structure](data:image/svg+xml,%3Csvg%20xmlns='http://www.w3.org/2000/svg'%20viewBox='0%200%200%200'%3E%3C/svg%3E)
1H-Pyrrolo[2,3-b]pyridine, 5-chloro-2-methyl-
- CAS RN: 145934-81-2
- Product Code: SSC-057102
-
-
-
1H-Pyrrolo[2,3-b]pyridine,5-fluoro-2-methyl-(9CI)
- CAS RN: 145934-92-5
- Product Code: SSC-057105
-
-
![CAS 145934-81-2 1H-Pyrrolo[2,3-b]pyridine, 5-chloro-2-methyl- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/145934-81-2.gif)
![CAS 145934-92-5 1H-Pyrrolo[2,3-b]pyridine,5-fluoro-2-methyl-(9CI) molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/145934-92-5.gif)
