[email protected]
CAS 1956341-14-2 1-(3-hydroxyquinolin-6-yl)ethanone molecular structure lightbox
CAS RN: 1956341-14-2

1-(3-hydroxyquinolin-6-yl)ethanone

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251122 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS1956341-14-2
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

1956341-14-2 / 1-(3-hydroxyquinolin-6-yl)ethanone

Standard CAS: 1956341-14-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1956341-14-2
Multi CAS
No
Molecular Formula
C11H9NO2
Molecular Weight
187.190000
Exact Mass
187.063329
SMILES
CC(=O)C1=CC2=CC(=CN=C2C=C1)O
InChI
InChI=1S/C11H9NO2/c1-7(13)8-2-3-11-9(4-8)5-10(14)6-12-11/h2-6,14H,1H3
InChIKey
BHHCUXYLECTEIN-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
10
Fraction Csp3
0.09
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
53.41
TPSA
50.19

LogP / Solubility

WLOGP
2.14
MLOGP
1.88
XLogP3
1.2
Consensus LogP
1.74
Log S (ESOL)
-2.81
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.64
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.78
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)
-2.34

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

Customers Also Viewed

Get In Touch

Contact Us