CAS RN: 118-13-8
3-HYDROXYQUINOLINE-4-CARBOXYLIC ACID
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.20250305 | 100mg / 250mg / 500mg | Out of stock | 1 business days | Inquiry |
- Product code: starshine_CAS118-13-8
- Purity/Analytical Methods: >99.0%
118-13-8 / 3-hydroxyquinoline-4-carboxylic acid
3-Hydroxyquinoline-4-carboxylic acid | 3-Hydroxy-4-quinolinecarboxylic acid | RefChem:502606
Basic Information
CAS
118-13-8
Multi CAS
No
Molecular Formula
C10H7NO3
Molecular Weight
189.170000
Exact Mass
189.042593
SMILES
C1=CC=C2C(=C1)C(=C(C=N2)O)C(=O)O
InChI
InChI=1S/C10H7NO3/c12-8-5-11-7-4-2-1-3-6(7)9(8)10(13)14/h1-5,12H,(H,13,14)
InChIKey
MXNVEJDRXSFZQB-UHFFFAOYSA-N
Synonyms
3-Hydroxyquinoline-4-carboxylic acid
3-Hydroxy-4-quinolinecarboxylic acid
RefChem:502606
204-236-7
3-Hydroxycinchoninic acid
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
10
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
2
Molar refractivity
50.37
TPSA
70.42
LogP / Solubility
WLOGP
1.64
MLOGP
1.44
XLogP3
1.9
Consensus LogP
1.66
Log S (ESOL)
-2.51
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.29
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.37
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.71
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
Safety & Transport
Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
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