CAS RN: 1353224-53-9
4-(4-(cyclopentyloxy)quinolin-2-yl)benzene-1,2-diol
Product Availability
Choose a grade to view its available package options.
7 package records6 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20260317 | 5mg / 25mg / 100mg | Out of stock | 5-7 business days | Inquiry |
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250718 | 100mg | In stock | Shanghai | Inquiry | |
| Batchno.20250316 | 10mg | In stock | Shanghai | Inquiry | |
| Batchno.20250301 | 1g | In stock | Shanghai | Inquiry | |
| Batchno.20251125 | 250mg | In stock | Shanghai | Inquiry | |
| Batchno.20250723 | 25mg | In stock | Shanghai | Inquiry | |
| Batchno.20260421 | 50mg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS1353224-53-9
- Purity/Analytical Methods: >99.0%
1353224-53-9 / 4-(4-cyclopentyloxyquinolin-2-yl)benzene-1,2-diol
Basic Information
CAS
1353224-53-9
Multi CAS
No
Molecular Formula
C20H19NO3
Molecular Weight
321.400000
Exact Mass
321.136493
SMILES
C1CCC(C1)OC2=CC(=NC3=CC=CC=C32)C4=CC(=C(C=C4)O)O
InChI
InChI=1S/C20H19NO3/c22-18-10-9-13(11-19(18)23)17-12-20(24-14-5-1-2-6-14)15-7-3-4-8-16(15)21-17/h3-4,7-12,14,22-23H,1-2,5-6H2
InChIKey
OMHNVUCFPJJLKD-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
24
Aromatic heavy atom count
16
Fraction Csp3
0.25
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
2
Molar refractivity
93.39
TPSA
62.58
LogP / Solubility
WLOGP
4.63
MLOGP
4.09
XLogP3
4.4
Consensus LogP
4.37
Log S (ESOL)
-5.05
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.54
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.96
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.39
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3
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