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CAS 352514-21-7 2(1H)-Pyridinone,6-(hydroxymethyl)-(9CI) molecular structure lightbox
CAS RN: 352514-21-7

2(1H)-Pyridinone,6-(hydroxymethyl)-(9CI)

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251222 100mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS352514-21-7
  • Purity/Analytical Methods: >99.0%
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352514-21-7 / 6-(hydroxymethyl)-1H-pyridin-2-one

Standard CAS: 352514-21-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
352514-21-7
Multi CAS
Yes
Molecular Formula
C6H7NO2
Molecular Weight
125.130000
Exact Mass
125.047678
InChI
InChI=1S/C6H7NO2/c8-4-5-2-1-3-6(9)7-5/h1-3,8H,4H2,(H,7,9)
InChIKey
OCIJNSPIKMBDDH-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Aromatic heavy atom count
6
Fraction Csp3
0.17
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
32.99
TPSA
53.09

LogP / Solubility

WLOGP
-0.13
MLOGP
-0.13
XLogP3
-0.7
Consensus LogP
-0.32
Log S (ESOL)
-0.96
Class (ESOL)
Very soluble
Log S (Ali)
-0.49
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.48
Class (SILICOS-IT)
Very 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)
-3.58

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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