CAS RN: 485-89-2
oxycinchophen
Product Availability
Choose a grade to view its available package options.
10 package records10 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20251030 | 100mg | In stock | Shanghai | Inquiry |
| Batchno.20250330 | 10mg | In stock | Shanghai | Inquiry |
| Batchno.20250206 | 1g | In stock | Shanghai | Inquiry |
| Batchno.20250923 | 250mg | In stock | Shanghai | Inquiry |
| Batchno.20250120 | 25mg | In stock | Shanghai | Inquiry |
| Batchno.20250507 | 50mg | In stock | Shanghai | Inquiry |
- Product code: LINO927368
485-89-2 / 3-hydroxy-2-phenylquinoline-4-carboxylic acid
Basic Information
CAS
485-89-2
Multi CAS
No
Molecular Formula
C16H11NO3
Molecular Weight
265.260000
Exact Mass
265.073893
InChI
InChI=1S/C16H11NO3/c18-15-13(16(19)20)11-8-4-5-9-12(11)17-14(15)10-6-2-1-3-7-10/h1-9,18H,(H,19,20)
InChIKey
XAPRFLSJBSXESP-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
16
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
2
Molar refractivity
75.8
TPSA
70.42
LogP / Solubility
WLOGP
3.31
MLOGP
2.92
XLogP3
3.6
Consensus LogP
3.28
Log S (ESOL)
-4.03
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.12
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.37
Class (SILICOS-IT)
Slightly 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)
-1.99
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
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