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CAS 64761-20-2 ethyl 1,4-dihydro-8-Methoxy-4-oxo-1,5-naphthyridine-3-carboxylate molecular structure lightbox
CAS RN: 64761-20-2

ethyl 1,4-dihydro-8-Methoxy-4-oxo-1,5-naphthyridine-3-carboxylate

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251126 1g Out of stock 15 business days Inquiry
  • Product code: starshine_CAS64761-20-2
  • Purity/Analytical Methods: >99.0%
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64761-20-2 / ethyl 8-methoxy-4-oxo-1H-1,5-naphthyridine-3-carboxylate

Standard CAS: 64761-20-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
64761-20-2
Multi CAS
Yes
Molecular Formula
C12H12N2O4
Molecular Weight
248.230000
Exact Mass
248.079707
InChI
InChI=1S/C12H12N2O4/c1-3-18-12(16)7-6-14-9-8(17-2)4-5-13-10(9)11(7)15/h4-6H,3H2,1-2H3,(H,14,15)
InChIKey
HUKDPUKPNGGPIU-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
10
Fraction Csp3
0.25
Rotatable bonds
3
H-bond acceptors
5
H-bond donors
1
Molar refractivity
64.87
TPSA
81.28

LogP / Solubility

WLOGP
1.11
MLOGP
0.98
XLogP3
1.2
Consensus LogP
1.1
Log S (ESOL)
-2.29
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.4
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.55
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.45

Drug-likeness / Medicinal Chemistry

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

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