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CAS 180271-41-4 AcetaMide, N-(1-tricyclo[3.3.1.13,7]dec-1-ylethyl)- molecular structure lightbox
CAS RN: 180271-41-4

AcetaMide, N-(1-tricyclo[3.3.1.13,7]dec-1-ylethyl)-

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260121 100mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS180271-41-4
  • Purity/Analytical Methods: >99.0%
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180271-41-4 / N-[1-(1-adamantyl)ethyl]acetamide

Standard CAS: 180271-41-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
180271-41-4
Multi CAS
No
Molecular Formula
C14H23NO
Molecular Weight
221.340000
Exact Mass
221.177964
SMILES
CC(C12CC3CC(C1)CC(C3)C2)NC(=O)C
InChI
InChI=1S/C14H23NO/c1-9(15-10(2)16)14-6-11-3-12(7-14)5-13(4-11)8-14/h9,11-13H,3-8H2,1-2H3,(H,15,16)
InChIKey
HDEIBESKFFIEPU-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Fraction Csp3
0.93
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
1
Molar refractivity
63.88
TPSA
29.1

LogP / Solubility

WLOGP
2.73
MLOGP
2.4
XLogP3
2.9
Consensus LogP
2.68
Log S (ESOL)
-2.8
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.34
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.6
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)
-2.13

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
6.5

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