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CAS 90097-45-3 3-HYDROXYMETHYL-1H-QUINOLIN-2-ONE molecular structure lightbox
CAS RN: 90097-45-3

3-HYDROXYMETHYL-1H-QUINOLIN-2-ONE

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260115 250mg / 1g / 5g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS90097-45-3
  • Purity/Analytical Methods: >99.0%
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90097-45-3 / 3-(hydroxymethyl)-1H-quinolin-2-one

Standard CAS: 90097-45-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
90097-45-3
Multi CAS
Yes
Molecular Formula
C10H9NO2
Molecular Weight
175.180000
Exact Mass
175.063329
InChI
InChI=1S/C10H9NO2/c12-6-8-5-7-3-1-2-4-9(7)11-10(8)13/h1-5,12H,6H2,(H,11,13)
InChIKey
VHJYMYGHHCHEDA-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
10
Fraction Csp3
0.1
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
50.49
TPSA
53.09

LogP / Solubility

WLOGP
1.02
MLOGP
0.89
XLogP3
1
Consensus LogP
0.97
Log S (ESOL)
-2.07
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.73
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.77
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)
-3.06

Drug-likeness / Medicinal Chemistry

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

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