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CAS 304676-35-5 1-[(2-methylphenoxy)acetyl]-1,2,3,4-tetrahydroquinoline molecular structure lightbox
CAS RN: 304676-35-5

1-[(2-methylphenoxy)acetyl]-1,2,3,4-tetrahydroquinoline

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260413 100mg / 250mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS304676-35-5
  • Purity/Analytical Methods: >99.0%
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304676-35-5 / 1-(3,4-dihydro-2H-quinolin-1-yl)-2-(2-methylphenoxy)ethanone

Standard CAS: 304676-35-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
304676-35-5
Multi CAS
No
Molecular Formula
C18H19NO2
Molecular Weight
281.300000
Exact Mass
281.141579
InChI
InChI=1S/C18H19NO2/c1-14-7-2-5-11-17(14)21-13-18(20)19-12-6-9-15-8-3-4-10-16(15)19/h2-5,7-8,10-11H,6,9,12-13H2,1H3
InChIKey
CJVWJHDVLKCEQQ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
21
Aromatic heavy atom count
12
Fraction Csp3
0.28
Rotatable bonds
3
H-bond acceptors
2
Molar refractivity
83.79
TPSA
29.54

LogP / Solubility

WLOGP
3.35
MLOGP
2.96
XLogP3
3.7
Consensus LogP
3.34
Log S (ESOL)
-3.92
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.29
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.63
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.06

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2.5

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