CAS RN: 519152-68-2
6-(4-FLUORO-PHENYLSULFAMOYL)-2-HYDROXY-QUINOLINE-4-CARBOXYLIC ACID
- Product code: SSC-158957
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: 0.25g
- 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 |
|---|---|---|---|---|
| 0.25g | ≥95% | 0 Out of Stock | Beijing | Inquiry |
519152-68-2 / 6-[(4-fluorophenyl)sulfamoyl]-2-oxo-1H-quinoline-4-carboxylic acid
Basic Information
CAS
519152-68-2
Multi CAS
No
Molecular Formula
C16FH11N2O5S
Molecular Weight
362.300000
Exact Mass
362.037271
InChI
InChI=1S/C16H11FN2O5S/c17-9-1-3-10(4-2-9)19-25(23,24)11-5-6-14-12(7-11)13(16(21)22)8-15(20)18-14/h1-8,19H,(H,18,20)(H,21,22)
InChIKey
RHQYYIVDRJCNCZ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
25
Aromatic heavy atom count
16
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
3
Molar refractivity
88.74
TPSA
116.33
LogP / Solubility
WLOGP
2.17
MLOGP
1.93
XLogP3
1.2
Consensus LogP
1.77
Log S (ESOL)
-3.66
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.1
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.29
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.39
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
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