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CAS 1374258-40-8 2-Methoxyquinoline-7-carboxylic acid molecular structure lightbox
CAS RN: 1374258-40-8

2-Methoxyquinoline-7-carboxylic acid

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Batchno.20250817 100mg / 250mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS1374258-40-8
  • Purity/Analytical Methods: >99.0%
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1374258-40-8 / 2-methoxyquinoline-7-carboxylic acid

Standard CAS: 1374258-40-8 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1374258-40-8
Multi CAS
No
Molecular Formula
C11H9NO3
Molecular Weight
203.190000
Exact Mass
203.058243
SMILES
COC1=NC2=C(C=CC(=C2)C(=O)O)C=C1
InChI
InChI=1S/C11H9NO3/c1-15-10-5-4-7-2-3-8(11(13)14)6-9(7)12-10/h2-6H,1H3,(H,13,14)
InChIKey
UUJCLULZZFVJER-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
10
Fraction Csp3
0.09
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
55.25
TPSA
59.42

LogP / Solubility

WLOGP
1.94
MLOGP
1.71
XLogP3
2
Consensus LogP
1.88
Log S (ESOL)
-2.68
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.63
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.83
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.58

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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