CAS RN: 23218-76-0
2-AMINO-3-(8-HYDROXYQUINOLIN-5-YL)PROPANOIC ACID DIHYDROCHLORIDE
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.20251017 | 50mg / 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS23218-76-0
- Purity/Analytical Methods: >99.0%
23218-76-0 / 2-amino-3-(8-hydroxyquinolin-5-yl)propanoic acid;dihydrochloride
Basic Information
CAS
23218-76-0
Multi CAS
No
Molecular Formula
C12H14Cl2N2O3
Molecular Weight
305.150000
Exact Mass
304.038148
SMILES
C1=CC2=C(C=CC(=C2N=C1)O)CC(C(=O)O)N.Cl.Cl
InChI
InChI=1S/C12H12N2O3.2ClH/c13-9(12(16)17)6-7-3-4-10(15)11-8(7)2-1-5-14-11;;/h1-5,9,15H,6,13H2,(H,16,17);2*1H
InChIKey
SBPUWEPIAMQXCH-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
10
Fraction Csp3
0.17
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
3
Molar refractivity
77.22
TPSA
96.44
LogP / Solubility
WLOGP
1.74
MLOGP
1.54
XLogP3
1.74
Consensus LogP
1.67
Log S (ESOL)
-3.02
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.32
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.45
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.35
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2
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