CAS RN: 495407-02-8
8-BroMo-4-hydroxy-quinoline-2-carboxylic acid Methyl ester
- Product code: SSC-155748
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: 1g, 5g, 10g, 0.1g, 0.25g, 25g
- Available purity: ≥95%
- Inventory rows with stock: 6
- 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 |
|---|---|---|---|---|
| 1g | ≥95% | 5 In Stock | Shanghai | Inquiry |
| 5g | ≥95% | 5 In Stock | Beijing | Inquiry |
| 10g | ≥95% | 3 In Stock | Hong Kong | Inquiry |
| 0.1g | ≥95% | 1 In Stock | Shenzhen | Inquiry |
| 0.25g | ≥95% | 1 In Stock | Beijing | Inquiry |
| 25g | ≥95% | 1 In Stock | Hong Kong | Inquiry |
495407-02-8 / methyl 8-bromo-4-oxo-1H-quinoline-2-carboxylate
Basic Information
CAS
495407-02-8
Multi CAS
Yes
Molecular Formula
BC11H8O3Rn
Molecular Weight
282.090000
Exact Mass
280.968760
InChI
InChI=1S/C11H8BrNO3/c1-16-11(15)8-5-9(14)6-3-2-4-7(12)10(6)13-8/h2-5H,1H3,(H,13,14)
InChIKey
MSNCAHIJLBCEDO-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
10
Fraction Csp3
0.09
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
63.61
TPSA
59.16
LogP / Solubility
WLOGP
2.08
MLOGP
1.84
XLogP3
2.3
Consensus LogP
2.07
Log S (ESOL)
-3.29
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.37
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.34
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)
-2.97
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
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