CAS RN: 1261631-01-9
Ethyl 7-Hydroxyquinoline-6-carboxylate
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20251211 | 250mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1261631-01-9
- Purity/Analytical Methods: >99.0%
1261631-01-9 / ethyl 7-hydroxyquinoline-6-carboxylate
Basic Information
CAS
1261631-01-9
Multi CAS
No
Molecular Formula
C12H11NO3
Molecular Weight
217.220000
Exact Mass
217.073893
SMILES
CCOC(=O)C1=C(C=C2C(=C1)C=CC=N2)O
InChI
InChI=1S/C12H11NO3/c1-2-16-12(15)9-6-8-4-3-5-13-10(8)7-11(9)14/h3-7,14H,2H2,1H3
InChIKey
ZNZJMAXKSBFHSD-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
10
Fraction Csp3
0.17
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
59.36
TPSA
59.42
LogP / Solubility
WLOGP
2.12
MLOGP
1.87
XLogP3
2.6
Consensus LogP
2.2
Log S (ESOL)
-2.85
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.87
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.07
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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