CAS RN: 1086386-20-0
7-BroMo-1-Methyl-3,4-dihydro-2(1H)-quinolinone
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.20260401 | 100mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1086386-20-0
- Purity/Analytical Methods: >99.0%
1086386-20-0 / 7-bromo-1-methyl-3,4-dihydroquinolin-2-one
7-Bromo-3,4-dihydro-1-methyl-2(1H)-quinolinone | RefChem:1074361 | 7-Bromo-1-methyl-3,4-dihydroquinolin-2(1H)-one
Basic Information
CAS
1086386-20-0
Multi CAS
No
Molecular Formula
C10H10BrNO
Molecular Weight
240.100000
Exact Mass
238.994580
SMILES
CN1C(=O)CCC2=C1C=C(C=C2)Br
InChI
InChI=1S/C10H10BrNO/c1-12-9-6-8(11)4-2-7(9)3-5-10(12)13/h2,4,6H,3,5H2,1H3
InChIKey
XVBPEXCFWANWIM-UHFFFAOYSA-N
Synonyms
7-Bromo-3,4-dihydro-1-methyl-2(1H)-quinolinone
RefChem:1074361
7-Bromo-1-methyl-3,4-dihydroquinolin-2(1H)-one
7-Bromo-1-methyl-3,4-dihydro-2(1H)-quinolinone
7-BROMO-1-METHYL-3,4-DIHYDROQUINOLIN-2-ONE
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.3
H-bond acceptors
1
Molar refractivity
55.87
TPSA
20.31
LogP / Solubility
WLOGP
2.36
MLOGP
2.08
XLogP3
1.9
Consensus LogP
2.11
Log S (ESOL)
-3.16
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.23
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.18
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)
-2.51
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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