Verified Factory Data
Supply Overview & Packaging Options
Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.
- Pack sizes on record: 0.1g, 0.25g, 1g, 5g, 10g
- Available purity: >97%
- Inventory rows with stock: 5
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 0.1g | >97% | 1 In Stock | Shenzhen | Inquiry |
| 0.25g | >97% | 1 In Stock | Hong Kong | Inquiry |
| 1g | >97% | 1 In Stock | Shenzhen | Inquiry |
| 5g | >97% | 1 In Stock | Shanghai | Inquiry |
| 10g | >97% | 1 In Stock | Shanghai | Inquiry |
1187933-35-2 / 5-bromo-1-methylquinolin-2-one
5-BROMO-1-METHYLQUINOLIN-2(1H)-ONE | 5-BROMO-1-METHYL-1H-QUINOLIN-2-ONE | MFCD12913829
Basic Information
CAS
1187933-35-2
Multi CAS
No
Molecular Formula
C10H8BrNO
Molecular Weight
238.080000
Exact Mass
236.978930
SMILES
CN1C2=C(C=CC1=O)C(=CC=C2)Br
InChI
InChI=1S/C10H8BrNO/c1-12-9-4-2-3-8(11)7(9)5-6-10(12)13/h2-6H,1H3
InChIKey
PQYPEEUJJRYGPH-UHFFFAOYSA-N
Synonyms
5-BROMO-1-METHYLQUINOLIN-2(1H)-ONE
5-BROMO-1-METHYL-1H-QUINOLIN-2-ONE
MFCD12913829
5-bromo-1-methylquinolin-2-one
SCHEMBL15519805
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
10
Fraction Csp3
0.1
H-bond acceptors
2
Molar refractivity
56.89
TPSA
22
LogP / Solubility
WLOGP
2.3
MLOGP
2.03
XLogP3
2.1
Consensus LogP
2.14
Log S (ESOL)
-3.33
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.17
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.12
Class (SILICOS-IT)
Poorly 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)
-2.54
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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