CAS RN: 3555-41-7
6,8-Dibromo-3,4-dihydroquinolin-2(1H)-one
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.20251214 | 1g / 5g / 10g | Out of stock | 5-7 business days | Inquiry |
- Product code: LIND899623
3555-41-7 / 6,8-dibromo-3,4-dihydro-1H-quinolin-2-one
Basic Information
CAS
3555-41-7
Multi CAS
No
Molecular Formula
C9H7BR2NO
Molecular Weight
304.970000
Exact Mass
304.887390
InChI
InChI=1S/C9H7Br2NO/c10-6-3-5-1-2-8(13)12-9(5)7(11)4-6/h3-4H,1-2H2,(H,12,13)
InChIKey
RSLXXGCJTGCWIZ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.22
H-bond acceptors
1
H-bond donors
1
Molar refractivity
58.79
TPSA
29.1
LogP / Solubility
WLOGP
3.1
MLOGP
2.74
XLogP3
2.4
Consensus LogP
2.75
Log S (ESOL)
-4.02
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.3
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.21
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.38
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
![CAS 144511-13-7 6,9-Difluorobenzo[g]isoquinoline-5,10-dione molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/25077200.gif)
