CAS RN: 1156389-00-2
6-BroMo-7-fluoro-3,4-dihydroquinolin-2(1H)-one
- Product code: SSC-015404
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 | Beijing | Inquiry |
1156389-00-2 / 6-bromo-7-fluoro-3,4-dihydro-1H-quinolin-2-one
6-bromo-7-fluoro-3,4-dihydroquinolin-2(1H)-one | 6-bromo-7-fluoro-3,4-dihydro-1H-quinolin-2-one | 6-bromo-7-fluoro-1,2,3,4-tetrahydroquinolin-2-one
Basic Information
CAS
1156389-00-2
Multi CAS
No
Molecular Formula
C9H7BrFNO
Molecular Weight
244.060000
Exact Mass
242.969500
SMILES
C1CC(=O)NC2=CC(=C(C=C21)Br)F
InChI
InChI=1S/C9H7BrFNO/c10-6-3-5-1-2-9(13)12-8(5)4-7(6)11/h3-4H,1-2H2,(H,12,13)
InChIKey
QHBQAFBBDSHWLQ-UHFFFAOYSA-N
Synonyms
6-bromo-7-fluoro-3,4-dihydroquinolin-2(1H)-one
6-bromo-7-fluoro-3,4-dihydro-1H-quinolin-2-one
6-bromo-7-fluoro-1,2,3,4-tetrahydroquinolin-2-one
2(1H)-Quinolinone, 6-bromo-7-fluoro-3,4-dihydro-
MFCD12174779
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
51.05
TPSA
29.1
LogP / Solubility
WLOGP
2.47
MLOGP
2.18
XLogP3
1.9
Consensus LogP
2.18
Log S (ESOL)
-3.25
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.35
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.3
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.45
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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