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CAS 849022-03-3 Methyl 4-hydroxy-8-methylquinoline-2-carboxylate molecular structure lightbox
CAS RN: 849022-03-3

Methyl 4-hydroxy-8-methylquinoline-2-carboxylate

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260402 25g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS849022-03-3
  • Purity/Analytical Methods: >99.0%
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849022-03-3 / methyl 8-methyl-4-oxo-1H-quinoline-2-carboxylate

Standard CAS: 849022-03-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
849022-03-3
Multi CAS
No
Molecular Formula
C12H11NO3
Molecular Weight
217.220000
Exact Mass
217.073893
InChI
InChI=1S/C12H11NO3/c1-7-4-3-5-8-10(14)6-9(12(15)16-2)13-11(7)8/h3-6H,1-2H3,(H,13,14)
InChIKey
LXGWTGWGUFVSGH-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
10
Fraction Csp3
0.17
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
60.65
TPSA
59.16

LogP / Solubility

WLOGP
1.62
MLOGP
1.43
XLogP3
2
Consensus LogP
1.68
Log S (ESOL)
-2.61
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.51
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.54
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)
-2.89

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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