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CAS 212707-61-4 trans-N-[2-(3-Indolyl)ethyl]cinnamamide molecular structure lightbox
CAS RN: 212707-61-4

trans-N-[2-(3-Indolyl)ethyl]cinnamamide

  • Product code: SSC-101634
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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: 0.1g, 0.25g, 1g, 5g
  • Available purity: ≥95%
  • Inventory rows with stock: 3
  • 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 212707-61-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 1 In Stock Beijing Inquiry
0.25g ≥95% 1 In Stock Shanghai Inquiry
1g ≥95% 1 In Stock Hong Kong Inquiry
5g ≥95% 0 Out of Stock Shenzhen Inquiry

212707-61-4 / (E)-N-[2-(1H-indol-3-yl)ethyl]-3-phenylprop-2-enamide

Standard CAS: 212707-61-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
212707-61-4
Multi CAS
No
Molecular Formula
C19H18N2O
Molecular Weight
290.400000
Exact Mass
290.141913
SMILES
C1=CC=C(C=C1)/C=C/C(=O)NCCC2=CNC3=CC=CC=C32
InChI
InChI=1S/C19H18N2O/c22-19(11-10-15-6-2-1-3-7-15)20-13-12-16-14-21-18-9-5-4-8-17(16)18/h1-11,14,21H,12-13H2,(H,20,22)/b11-10+
InChIKey
YSNGDZDGGGVGHU-ZHACJKMWSA-N

Computed Properties

Structural Parameters

Heavy atom count
22
Aromatic heavy atom count
15
Fraction Csp3
0.11
Rotatable bonds
5
H-bond acceptors
1
H-bond donors
2
Molar refractivity
90.49
TPSA
44.89

LogP / Solubility

WLOGP
3.54
MLOGP
3.13
XLogP3
3.9
Consensus LogP
3.52
Log S (ESOL)
-4.05
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.5
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.09
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.98

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

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