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CAS 67643-32-7 8-Bromo-4-hydroxy-6-methylquinoline-3-carboxylic acid ethyl ester molecular structure lightbox
CAS RN: 67643-32-7

8-Bromo-4-hydroxy-6-methylquinoline-3-carboxylic acid ethyl ester

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251023 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS67643-32-7
  • Purity/Analytical Methods: >99.0%
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67643-32-7 / ethyl 8-bromo-6-methyl-4-oxo-1H-quinoline-3-carboxylate

Standard CAS: 67643-32-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
67643-32-7
Multi CAS
Yes
Molecular Formula
BC13H12O3Rn
Molecular Weight
310.140000
Exact Mass
309.000060
InChI
InChI=1S/C13H12BrNO3/c1-3-18-13(17)9-6-15-11-8(12(9)16)4-7(2)5-10(11)14/h4-6H,3H2,1-2H3,(H,15,16)
InChIKey
PJWXOCIGKHQPCT-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
10
Fraction Csp3
0.23
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
72.96
TPSA
59.16

LogP / Solubility

WLOGP
2.78
MLOGP
2.46
XLogP3
3
Consensus LogP
2.75
Log S (ESOL)
-3.79
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.11
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.22
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.64

Drug-likeness / Medicinal Chemistry

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

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