![CAS 1595279-67-6 3,3-dimethyl-1H,2H,3H-pyrrolo[2,3-b]pyridine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1595279-67-6.gif)
CAS RN: 1595279-67-6
3,3-dimethyl-1H,2H,3H-pyrrolo[2,3-b]pyridine
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.20250701 | 100mg | Out of stock | 1 business days | Inquiry |
- Product code: starshine_CAS1595279-67-6
- Purity/Analytical Methods: >99.0%
1595279-67-6 / 3,3-dimethyl-1,2-dihydropyrrolo[2,3-b]pyridine
Basic Information
CAS
1595279-67-6
Multi CAS
No
Molecular Formula
C9H12N2
Molecular Weight
148.200000
Exact Mass
148.100048
SMILES
CC1(CNC2=C1C=CC=N2)C
InChI
InChI=1S/C9H12N2/c1-9(2)6-11-8-7(9)4-3-5-10-8/h3-5H,6H2,1-2H3,(H,10,11)
InChIKey
RKOPPQLAXXNYAH-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.44
H-bond acceptors
2
H-bond donors
1
Molar refractivity
45.75
TPSA
24.92
LogP / Solubility
WLOGP
1.78
MLOGP
1.56
XLogP3
2.1
Consensus LogP
1.81
Log S (ESOL)
-2.29
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.06
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.1
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)
-2.36
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
Customers Also Viewed
-
(2-(PYRROLIDIN-1-YL)THIAZOL-5-YL)BORONIC ACID PINACOL ESTER
- CAS RN: 1595285-01-0
- Product Code: SSC-067489
-
S(R)]-N-[(1R)-1-[2-(Diphenylphosphino)phenyl]ethyl]-2-methyl-2-propanesulfinamide
- CAS RN: 1595319-89-3
- Product Code: SSC-067495
-
[S(R)]-N-[(1S)-1-[2-(Diphenylphosphino)phenyl]-2,2-dimethylpropyl]-2-methyl-2-propanesulfinamide
- CAS RN: 1595319-94-0
- Product Code: SSC-067496
-
[S(R)]-N-[(S)-[2-(Diphenylphosphino)phenyl]-1-naphthalenylmethyl]-2-methyl-2-propanesulfinamide
- CAS RN: 1595319-95-1
- Product Code: SSC-067497
-
[S(R)]-N-[(R)-[2-(Diphenylphosphino)phenyl](4-methoxyphenyl)methyl]-2-methyl-2-propanesulfinamide
- CAS RN: 1595319-96-2
- Product Code: SSC-067498
-
[S(R)]-N-[(S)-[2-(Diphenylphosphino)phenyl]phenylmethyl]-2-methyl-2-propanesulfinamide
- CAS RN: 1595319-97-3
- Product Code: SSC-067499
![CAS 1595319-89-3 S(R)]-N-[(1R)-1-[2-(Diphenylphosphino)phenyl]ethyl]-2-methyl-2-propanesulfinamide molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB96226650.gif)
![CAS 1595319-94-0 [S(R)]-N-[(1S)-1-[2-(Diphenylphosphino)phenyl]-2,2-dimethylpropyl]-2-methyl-2-propanesulfinamide molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB56197075.gif)
![CAS 1595319-95-1 [S(R)]-N-[(S)-[2-(Diphenylphosphino)phenyl]-1-naphthalenylmethyl]-2-methyl-2-propanesulfinamide molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB66197133.gif)
![CAS 1595319-96-2 [S(R)]-N-[(R)-[2-(Diphenylphosphino)phenyl](4-methoxyphenyl)methyl]-2-methyl-2-propanesulfinamide molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB16197097.gif)
![CAS 1595319-97-3 [S(R)]-N-[(S)-[2-(Diphenylphosphino)phenyl]phenylmethyl]-2-methyl-2-propanesulfinamide molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB26197135.gif)