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CAS 14040-79-0 N,N’-bis(2-phenylethyl)ethanediamide molecular structure lightbox
CAS RN: 14040-79-0

N,N’-bis(2-phenylethyl)ethanediamide

  • Product code: SSC-051025
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 1g, 5g, 10g, 25g, 0.1g, 0.25g, 100g
  • Available purity: >95%
  • Inventory rows with stock: 7
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 14040-79-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >95% 5 In Stock Shanghai Inquiry
5g >95% 4 In Stock Shenzhen Inquiry
10g >95% 4 In Stock Shenzhen Inquiry
25g >95% 4 In Stock Beijing Inquiry
0.1g >95% 3 In Stock Shenzhen Inquiry
0.25g >95% 2 In Stock Shanghai Inquiry
100g >95% 2 In Stock Shanghai Inquiry

14040-79-0 / N,N'-bis(2-phenylethyl)oxamide

Standard CAS: 14040-79-0 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
14040-79-0
Multi CAS
No
Molecular Formula
C18H20N2O2
Molecular Weight
296.400000
Exact Mass
296.152478
SMILES
C1=CC=C(C=C1)CCNC(=O)C(=O)NCCC2=CC=CC=C2
InChI
InChI=1S/C18H20N2O2/c21-17(19-13-11-15-7-3-1-4-8-15)18(22)20-14-12-16-9-5-2-6-10-16/h1-10H,11-14H2,(H,19,21)(H,20,22)
InChIKey
QZXQKYMXZRGKLB-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
22
Aromatic heavy atom count
12
Fraction Csp3
0.22
Rotatable bonds
6
H-bond acceptors
2
H-bond donors
2
Molar refractivity
86.31
TPSA
58.2

LogP / Solubility

WLOGP
1.7
MLOGP
1.51
XLogP3
3.2
Consensus LogP
2.14
Log S (ESOL)
-2.76
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.22
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.72
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.32

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2.5

Safety & Transport

Pictogram(s)
Irritant Environmental Hazard
Signal
Warning
GHS Hazard Statements
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H400 (97.5%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]
Precautionary Statement Codes
P264+P265, P273, P280, P305+P351+P338, P337+P317, P391, and P501

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