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CAS 120537-66-8 1,8-Naphthyridin-2(1H)-one,4-hydroxy-7-methyl-(9CI) molecular structure lightbox
CAS RN: 120537-66-8

1,8-Naphthyridin-2(1H)-one,4-hydroxy-7-methyl-(9CI)

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250821 100mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS120537-66-8
  • Purity/Analytical Methods: >99.0%
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120537-66-8 / 4-hydroxy-7-methyl-1H-1,8-naphthyridin-2-one

4-hydroxy-7-methyl-1,8-naphthyridin-2(1H)-one | 1,8-Naphthyridin-2(1H)-one,4-hydroxy-7-methyl-(9CI) | 4-hydroxy-7-methyl-1H-1,8-naphthyridin-2-one

Standard CAS: 120537-66-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
120537-66-8
Multi CAS
Yes
Molecular Formula
C9H8N2O2
Molecular Weight
176.170000
Exact Mass
176.058578
SMILES
CC1=NC2=C(C=C1)C(=CC(=O)N2)O
InChI
InChI=1S/C9H8N2O2/c1-5-2-3-6-7(12)4-8(13)11-9(6)10-5/h2-4H,1H3,(H2,10,11,12,13)
InChIKey
VMIYAOXAGCGBLN-UHFFFAOYSA-N
Synonyms
4-hydroxy-7-methyl-1,8-naphthyridin-2(1H)-one 1,8-Naphthyridin-2(1H)-one,4-hydroxy-7-methyl-(9CI) 4-hydroxy-7-methyl-1H-1,8-naphthyridin-2-one 1,8-Naphthyridin-2(1H)-one, 4-hydroxy-7-methyl- 2-hydroxy-7-methyl-1H-1,8-naphthyridin-4-one

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
10
Fraction Csp3
0.11
H-bond acceptors
3
H-bond donors
2
Molar refractivity
48.77
TPSA
65.98

LogP / Solubility

WLOGP
0.94
MLOGP
0.82
XLogP3
0.4
Consensus LogP
0.72
Log S (ESOL)
-2.09
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.68
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.58
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)
-3.13

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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