[email protected]
CAS 955371-05-8 N-(1-naphthalen-1-yl-ethyl)-3-(3-trifluoroMethyl-phenyl)-propionaMide molecular structure lightbox
CAS RN: 955371-05-8

N-(1-naphthalen-1-yl-ethyl)-3-(3-trifluoroMethyl-phenyl)-propionaMide

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251128 100mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS955371-05-8
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

955371-05-8 / N-[(1S)-1-naphthalen-1-ylethyl]-3-[3-(trifluoromethyl)phenyl]propanamide

Standard CAS: 955371-05-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
955371-05-8
Multi CAS
Yes
Molecular Formula
C22F3H20NO
Molecular Weight
371.400000
Exact Mass
371.149699
InChI
InChI=1S/C22H20F3NO/c1-15(19-11-5-8-17-7-2-3-10-20(17)19)26-21(27)13-12-16-6-4-9-18(14-16)22(23,24)25/h2-11,14-15H,12-13H2,1H3,(H,26,27)/t15-/m0/s1
InChIKey
GDEHAOJGPHEOSO-HNNXBMFYSA-N

Computed Properties

Structural Parameters

Heavy atom count
27
Aromatic heavy atom count
16
Fraction Csp3
0.23
Rotatable bonds
5
H-bond acceptors
1
H-bond donors
1
Molar refractivity
100.27
TPSA
29.1

LogP / Solubility

WLOGP
5.67
MLOGP
5.01
XLogP3
5.5
Consensus LogP
5.39
Log S (ESOL)
-5.82
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.7
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.38
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-0.96

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3

Customers Also Viewed

Get In Touch

Contact Us