CAS RN: 177943-33-8
(S)-3-aMino-1-hydroxy-3,4-dihydroquinolin-2(1H)-one hydrochloride
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.20250905 | 5mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS177943-33-8
- Purity/Analytical Methods: >99.0%
177943-33-8 / (3S)-3-amino-1-hydroxy-3,4-dihydroquinolin-2-one;hydrochloride
Basic Information
CAS
177943-33-8
Multi CAS
No
Molecular Formula
C9H11ClN2O2
Molecular Weight
214.650000
Exact Mass
214.050905
SMILES
C1[C@@H](C(=O)N(C2=CC=CC=C21)O)N.Cl
InChI
InChI=1S/C9H10N2O2.ClH/c10-7-5-6-3-1-2-4-8(6)11(13)9(7)12;/h1-4,7,13H,5,10H2;1H/t7-;/m0./s1
InChIKey
WZOBDOKCHIUXAY-FJXQXJEOSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.22
H-bond acceptors
3
H-bond donors
2
Molar refractivity
54.64
TPSA
66.56
LogP / Solubility
WLOGP
0.71
MLOGP
0.63
XLogP3
0.71
Consensus LogP
0.68
Log S (ESOL)
-1.94
Class (ESOL)
Soluble
Log S (Ali)
-1.84
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.65
Class (SILICOS-IT)
Soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.52
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2
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