[email protected]
CAS 1005450-55-4 N-((R)-1-(naphthalen-1-yl)ethyl)-3-(3-(trifluoroMethyl)phenyl)propanaMide molecular structure lightbox
CAS RN: 1005450-55-4

N-((R)-1-(naphthalen-1-yl)ethyl)-3-(3-(trifluoroMethyl)phenyl)propanaMide

Product Availability

Choose a grade to view its available package options.

4 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250627 100mg / 250mg / 1g / 5g / 25g / 100g Confirm by inquiry Shanghai, Shandong Inquiry
Batchno.20260309 1g In stock Shanghai Inquiry
Batchno.20250304 25g Out of stock Inquiry
Batchno.20250801 5g In stock Shanghai Inquiry
  • Product code: SSC-001143
GET A QUOTE
Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 5g
  • Available purity: ＞95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
Request Bulk Quote

Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1005450-55-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ＞95% 0 Out of Stock Hong Kong Inquiry

1005450-55-4 / N-[(1R)-1-naphthalen-1-ylethyl]-3-[3-(trifluoromethyl)phenyl]propanamide

(R)-N-(1-(Naphthalen-1-yl)ethyl)-3-(3-(trifluoromethyl)phenyl)propanamide | MFCD18207041 | Benzenepropanamide, N-[(1R)-1-(1-naphthalenyl)ethyl]-3-(trifluoromethyl)-

Standard CAS: 1005450-55-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1005450-55-4
Multi CAS
Yes
Molecular Formula
C22H20F3NO
Molecular Weight
371.400000
Exact Mass
371.149699
SMILES
C[C@H](C1=CC=CC2=CC=CC=C21)NC(=O)CCC3=CC(=CC=C3)C(F)(F)F
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-/m1/s1
InChIKey
GDEHAOJGPHEOSO-OAHLLOKOSA-N
Synonyms
(R)-N-(1-(Naphthalen-1-yl)ethyl)-3-(3-(trifluoromethyl)phenyl)propanamide MFCD18207041 Benzenepropanamide, N-[(1R)-1-(1-naphthalenyl)ethyl]-3-(trifluoromethyl)- N-[(1R)-1-naphthalen-1-ylethyl]-3-[3-(trifluoromethyl)phenyl]propanamide N-((R)-1-(naphthalen-1-yl)ethyl)-3-(3-(trifluoromethyl)phenyl)propanamide

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