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CAS 599150-20-6 2-Methoxyethyl 4-(3-hydroxyphenyl)-7-(2-methoxyphe nyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinolin molecular structure lightbox
CAS RN: 599150-20-6

2-Methoxyethyl 4-(3-hydroxyphenyl)-7-(2-methoxyphe nyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinolin

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4 package records0 with current stock2 grade groups
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Batchno.20260216 10mg Out of stock Inquiry
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Batchno.20250820 5mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS599150-20-6
  • Purity/Analytical Methods: >99.0%
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599150-20-6 / 2-methoxyethyl 4-(3-hydroxyphenyl)-7-(2-methoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate

Standard CAS: 599150-20-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
599150-20-6
Multi CAS
Yes
Molecular Formula
C27H29NO6
Molecular Weight
463.500000
Exact Mass
463.199488
InChI
InChI=1S/C27H29NO6/c1-16-24(27(31)34-12-11-32-2)25(17-7-6-8-19(29)13-17)26-21(28-16)14-18(15-22(26)30)20-9-4-5-10-23(20)33-3/h4-10,13,18,25,28-29H,11-12,14-15H2,1-3H3
InChIKey
ZXSWZQSYZYMZKS-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
34
Aromatic heavy atom count
12
Fraction Csp3
0.33
Rotatable bonds
7
H-bond acceptors
7
H-bond donors
2
Molar refractivity
126.52
TPSA
94.09

LogP / Solubility

WLOGP
3.95
MLOGP
3.51
XLogP3
3.3
Consensus LogP
3.59
Log S (ESOL)
-5
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.21
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.79
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.74

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4

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