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CAS 132210-24-3 2-AMINO-3-(1,2-DIHYDRO-2-OXOQUINOLINE-4-YL)PROPANOIC ACID HYDROCHLORIDE molecular structure lightbox
CAS RN: 132210-24-3

2-AMINO-3-(1,2-DIHYDRO-2-OXOQUINOLINE-4-YL)PROPANOIC ACID HYDROCHLORIDE

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Batchno.20260423 5g / 25g / 100g / 500g Out of stock 5-7 business days Inquiry
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  • Product code: starshine_CAS132210-24-3
  • Purity/Analytical Methods: >99.0%
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132210-24-3 / 2-amino-3-(2-oxo-1H-quinolin-4-yl)propanoic acid;hydrochloride

Standard CAS: 132210-24-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
132210-24-3
Multi CAS
No
Molecular Formula
C12H13ClN2O3
Molecular Weight
268.690000
Exact Mass
268.061470
SMILES
C1=CC=C2C(=C1)C(=CC(=O)N2)CC(C(=O)O)N.Cl
InChI
InChI=1S/C12H12N2O3.ClH/c13-9(12(16)17)5-7-6-11(15)14-10-4-2-1-3-8(7)10;/h1-4,6,9H,5,13H2,(H,14,15)(H,16,17);1H
InChIKey
MPTXVJCCTVAVNL-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
10
Fraction Csp3
0.17
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
3
Molar refractivity
71.13
TPSA
96.18

LogP / Solubility

WLOGP
0.9
MLOGP
0.8
XLogP3
0.9
Consensus LogP
0.87
Log S (ESOL)
-2.29
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.42
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.52
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.72

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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