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CAS 110139-15-6 N-(8-oxo-5,6,7,8-tetrahydronaphthalen-1-yl)acetamide molecular structure lightbox
CAS RN: 110139-15-6

N-(8-oxo-5,6,7,8-tetrahydronaphthalen-1-yl)acetamide

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251114 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS110139-15-6
  • Purity/Analytical Methods: >99.0%
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110139-15-6 / N-(8-oxo-6,7-dihydro-5H-naphthalen-1-yl)acetamide

N-(8-OXO-5,6,7,8-TETRAHYDRONAPHTHALEN-1-YL)ACETAMIDE | N-(8-oxo-6,7-dihydro-5H-naphthalen-1-yl)acetamide | MFCD12828234

Standard CAS: 110139-15-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
110139-15-6
Multi CAS
No
Molecular Formula
C12H13NO2
Molecular Weight
203.240000
Exact Mass
203.094629
SMILES
CC(=O)NC1=CC=CC2=C1C(=O)CCC2
InChI
InChI=1S/C12H13NO2/c1-8(14)13-10-6-2-4-9-5-3-7-11(15)12(9)10/h2,4,6H,3,5,7H2,1H3,(H,13,14)
InChIKey
SRBHOMIOZFJDNQ-UHFFFAOYSA-N
Synonyms
N-(8-OXO-5,6,7,8-TETRAHYDRONAPHTHALEN-1-YL)ACETAMIDE N-(8-oxo-6,7-dihydro-5H-naphthalen-1-yl)acetamide MFCD12828234 8-acetylamino-1-tetralone SCHEMBL1337358

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
58.01
TPSA
46.17

LogP / Solubility

WLOGP
2.16
MLOGP
1.9
XLogP3
1.8
Consensus LogP
1.95
Log S (ESOL)
-2.69
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.79
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.9
Class (SILICOS-IT)
Moderately 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)
-2.42

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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