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CAS 1451154-40-7 Methyl 2-methoxyquinoline-7-carboxylate molecular structure lightbox
CAS RN: 1451154-40-7

Methyl 2-methoxyquinoline-7-carboxylate

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250916 25mg / 100mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS1451154-40-7
  • Purity/Analytical Methods: >99.0%
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1451154-40-7 / methyl 2-methoxyquinoline-7-carboxylate

Standard CAS: 1451154-40-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1451154-40-7
Multi CAS
No
Molecular Formula
C12H11NO3
Molecular Weight
217.220000
Exact Mass
217.073893
SMILES
COC1=NC2=C(C=CC(=C2)C(=O)OC)C=C1
InChI
InChI=1S/C12H11NO3/c1-15-11-6-5-8-3-4-9(12(14)16-2)7-10(8)13-11/h3-7H,1-2H3
InChIKey
GDLOIGJPEGXUMW-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
10
Fraction Csp3
0.17
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
59.63
TPSA
48.42

LogP / Solubility

WLOGP
2.03
MLOGP
1.79
XLogP3
2.3
Consensus LogP
2.04
Log S (ESOL)
-2.8
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.81
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.6

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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