CAS RN: 1228552-87-1
1-(7-bromoquinolin-3-yl)ethanone
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.20250310 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1228552-87-1
- Purity/Analytical Methods: >99.0%
1228552-87-1 / 1-(7-bromoquinolin-3-yl)ethanone
Basic Information
CAS
1228552-87-1
Multi CAS
No
Molecular Formula
C11H8BrNO
Molecular Weight
250.090000
Exact Mass
248.978930
SMILES
CC(=O)C1=CN=C2C=C(C=CC2=C1)Br
InChI
InChI=1S/C11H8BrNO/c1-7(14)9-4-8-2-3-10(12)5-11(8)13-6-9/h2-6H,1H3
InChIKey
LYQOPNMWQZTJHA-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
10
Fraction Csp3
0.09
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
59.45
TPSA
29.96
LogP / Solubility
WLOGP
3.2
MLOGP
2.82
XLogP3
2.5
Consensus LogP
2.84
Log S (ESOL)
-3.87
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.92
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.06
Class (SILICOS-IT)
Slightly 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)
-1.97
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 1228553-27-2 (3R)-2,3-DIHYDROBENZO[B]FURAN-3-YLAMINE molecular structure](data:image/svg+xml,%3Csvg%20xmlns='http://www.w3.org/2000/svg'%20viewBox='0%200%200%200'%3E%3C/svg%3E)
(3R)-2,3-DIHYDROBENZO[B]FURAN-3-YLAMINE
- CAS RN: 1228553-27-2
- Product Code: starshine_CAS1228553-27-2
- Purity/Analytical method: >99.0%
-
(R)-4-broMo-2,3-dihydro-1H-inden-1-aMine-HCl
- CAS RN: 1228556-71-5
- Product Code: SSC-026420
-
-
3-((2R)PYRROLIDIN-2-YL)-1-METHOXYBENZENE
- CAS RN: 1228556-79-3
- Product Code: starshine_CAS1228556-79-3
- Purity/Analytical method: >99.0%
-
(4S)-6-BROMO-3,4-DIHYDRO-2H-1-BENZOPYRAN-4-AMINE
- CAS RN: 1228556-85-1
- Product Code: SSC-026423
-
(1S)-1-[2-FLUORO-5-(TRIFLUOROMETHYL)PHENYL]ETHYLAMINE
- CAS RN: 1228556-92-0
- Product Code: SSC-026424
![CAS 1228553-27-2 (3R)-2,3-DIHYDROBENZO[B]FURAN-3-YLAMINE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1228553-27-2.gif)
![CAS 1228556-92-0 (1S)-1-[2-FLUORO-5-(TRIFLUOROMETHYL)PHENYL]ETHYLAMINE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1228556-92-0.gif)