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CAS 212707-60-3 (E)-N-[2-(3-Indolyl)ethyl]-3-(4-hydroxyphenyl)acrylamide molecular structure lightbox
CAS RN: 212707-60-3

(E)-N-[2-(3-Indolyl)ethyl]-3-(4-hydroxyphenyl)acrylamide

  • Product code: SSC-101633
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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, 0.1g, 0.25g, 5g, 10g
  • Available purity: ≥95%
  • Inventory rows with stock: 5
  • 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 212707-60-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 4 In Stock Hong Kong Inquiry
0.1g ≥95% 2 In Stock Shenzhen Inquiry
0.25g ≥95% 2 In Stock Beijing Inquiry
5g ≥95% 2 In Stock Shenzhen Inquiry
10g ≥95% 2 In Stock Hong Kong Inquiry

212707-60-3 / (E)-3-(4-hydroxyphenyl)-N-[2-(1H-indol-3-yl)ethyl]prop-2-enamide

Standard CAS: 212707-60-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
212707-60-3
Multi CAS
No
Molecular Formula
C19H18N2O2
Molecular Weight
306.400000
Exact Mass
306.136828
SMILES
C1=CC=C2C(=C1)C(=CN2)CCNC(=O)/C=C/C3=CC=C(C=C3)O
InChI
InChI=1S/C19H18N2O2/c22-16-8-5-14(6-9-16)7-10-19(23)20-12-11-15-13-21-18-4-2-1-3-17(15)18/h1-10,13,21-22H,11-12H2,(H,20,23)/b10-7+
InChIKey
CDMGLLBADMBULG-JXMROGBWSA-N

Computed Properties

Structural Parameters

Heavy atom count
23
Aromatic heavy atom count
15
Fraction Csp3
0.11
Rotatable bonds
5
H-bond acceptors
2
H-bond donors
3
Molar refractivity
92.15
TPSA
65.12

LogP / Solubility

WLOGP
3.25
MLOGP
2.87
XLogP3
3.5
Consensus LogP
3.21
Log S (ESOL)
-3.94
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.42
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.95
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.28

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

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