[email protected]
CAS 1459-50-3 acetamide, N-(4-tricyclo[3.3.1.1~3,7~]dec-1-ylphenyl)- molecular structure lightbox
CAS RN: 1459-50-3

acetamide, N-(4-tricyclo[3.3.1.1~3,7~]dec-1-ylphenyl)-

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250128 250mg / 1g / 5g / 25g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS1459-50-3
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

1459-50-3 / N-[4-(1-adamantyl)phenyl]acetamide

Standard CAS: 1459-50-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1459-50-3
Multi CAS
No
Molecular Formula
C18H23NO
Molecular Weight
269.400000
Exact Mass
269.177964
SMILES
CC(=O)NC1=CC=C(C=C1)C23CC4CC(C2)CC(C4)C3
InChI
InChI=1S/C18H23NO/c1-12(20)19-17-4-2-16(3-5-17)18-9-13-6-14(10-18)8-15(7-13)11-18/h2-5,13-15H,6-11H2,1H3,(H,19,20)
InChIKey
ZVJQMQNYDNEXKB-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
6
Fraction Csp3
0.61
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
1
Molar refractivity
80.6
TPSA
29.1

LogP / Solubility

WLOGP
4.11
MLOGP
3.63
XLogP3
4.7
Consensus LogP
4.15
Log S (ESOL)
-4.19
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.74
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.06
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.44

Drug-likeness / Medicinal Chemistry

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

Customers Also Viewed

Get In Touch

Contact Us