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CAS 57883-28-0 1-Ethyl-7-nitro-1,2,3,4-tetrahydroquinoline molecular structure lightbox
CAS RN: 57883-28-0

1-Ethyl-7-nitro-1,2,3,4-tetrahydroquinoline

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250505 250g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS57883-28-0
  • Purity/Analytical Methods: >99.0%
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57883-28-0 / 1-ethyl-7-nitro-3,4-dihydro-2H-quinoline

Standard CAS: 57883-28-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
57883-28-0
Multi CAS
No
Molecular Formula
C11H14N2O2
Molecular Weight
206.240000
Exact Mass
206.105528
InChI
InChI=1S/C11H14N2O2/c1-2-12-7-3-4-9-5-6-10(13(14)15)8-11(9)12/h5-6,8H,2-4,7H2,1H3
InChIKey
TUCATNRJGJWEKT-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.45
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
59.3
TPSA
46.38

LogP / Solubility

WLOGP
2.37
MLOGP
2.08
XLogP3
2.6
Consensus LogP
2.35
Log S (ESOL)
-2.77
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.96
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.21
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.3

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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