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CAS 19026-83-6 N-(1-Adamantyl)acrylamide molecular structure lightbox
CAS RN: 19026-83-6

N-(1-Adamantyl)acrylamide

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260318 500mg In stock Shanghai Inquiry
  • Product code: ICTA3438
  • Purity/Analytical Methods: >95.0%(GC)(T)
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19026-83-6 / N-(1-adamantyl)prop-2-enamide

Standard CAS: 19026-83-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
19026-83-6
Multi CAS
No
Molecular Formula
C13H19NO
Molecular Weight
205.300000
Exact Mass
205.146664
SMILES
C=CC(=O)NC12CC3CC(C1)CC(C3)C2
InChI
InChI=1S/C13H19NO/c1-2-12(15)14-13-6-9-3-10(7-13)5-11(4-9)8-13/h2,9-11H,1,3-8H2,(H,14,15)
InChIKey
PBTMWGMSOKDCRP-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Fraction Csp3
0.77
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
1
Molar refractivity
59.24
TPSA
29.1

LogP / Solubility

WLOGP
2.26
MLOGP
1.99
XLogP3
2.8
Consensus LogP
2.35
Log S (ESOL)
-2.4
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.87
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.11
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)
-2.37

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
6

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