![CAS 175424-32-5 2H-Pyrrolo[2,3-b]pyridin-2-one, 5-bromo-1,3-dihydro-1,3,3-trimethyl- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/175424-32-5.gif)
CAS RN: 175424-32-5
2H-Pyrrolo[2,3-b]pyridin-2-one, 5-bromo-1,3-dihydro-1,3,3-trimethyl-
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.20251201 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS175424-32-5
- Purity/Analytical Methods: >99.0%
175424-32-5 / 5-bromo-1,3,3-trimethylpyrrolo[2,3-b]pyridin-2-one
Basic Information
CAS
175424-32-5
Multi CAS
No
Molecular Formula
C10H11BrN2O
Molecular Weight
255.110000
Exact Mass
254.005480
SMILES
CC1(C2=C(N=CC(=C2)Br)N(C1=O)C)C
InChI
InChI=1S/C10H11BrN2O/c1-10(2)7-4-6(11)5-12-8(7)13(3)9(10)14/h4-5H,1-3H3
InChIKey
YCNHZJHSIZHUIA-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.4
H-bond acceptors
2
Molar refractivity
58.37
TPSA
33.2
LogP / Solubility
WLOGP
2.1
MLOGP
1.85
XLogP3
1.8
Consensus LogP
1.92
Log S (ESOL)
-3.06
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.17
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.06
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.79
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
Customers Also Viewed
-
![CAS 175424-74-5 N-[(6-chloro-3-pyridinyl)methyl]acetamide(SALTDATA: FREE) molecular structure](data:image/svg+xml,%3Csvg%20xmlns='http://www.w3.org/2000/svg'%20viewBox='0%200%200%200'%3E%3C/svg%3E)
N-[(6-chloro-3-pyridinyl)methyl]acetamide(SALTDATA: FREE)
- CAS RN: 175424-74-5
- Product Code: starshine_CAS175424-74-5
- Purity/Analytical method: >99.0%
-
2-Benzothiazoleaceticacid,hydrazide(9CI)
- CAS RN: 175440-94-5
- Product Code: starshine_CAS175440-94-5
- Purity/Analytical method: >99.0%
-
Jaspolyanthoside
- CAS RN: 175448-05-2
- Product Code: starshine_CAS175448-05-2
- Purity/Analytical method: >99.0%
-
-
-
![CAS 175424-74-5 N-[(6-chloro-3-pyridinyl)methyl]acetamide(SALTDATA: FREE) molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/175424-74-5.gif)
