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CAS 7498-85-3 Ethyl 2-Cyano-3-(1-naphthalenyl)acrylate molecular structure lightbox
CAS RN: 7498-85-3

Ethyl 2-Cyano-3-(1-naphthalenyl)acrylate

  • Product code: SSC-184449
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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, 0.1g, 0.25g
  • Available purity: >97%
  • Inventory rows with stock: 4
  • 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 7498-85-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >97% 5 In Stock Shenzhen Inquiry
5g >97% 2 In Stock Shanghai Inquiry
0.1g >97% 1 In Stock Hong Kong Inquiry
0.25g >97% 1 In Stock Hong Kong Inquiry

7498-85-3 / ethyl 2-cyano-3-naphthalen-1-ylprop-2-enoate

Standard CAS: 7498-85-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
7498-85-3
Multi CAS
Yes
Molecular Formula
C16H13NO2
Molecular Weight
251.280000
Exact Mass
251.094629
InChI
InChI=1S/C16H13NO2/c1-2-19-16(18)14(11-17)10-13-8-5-7-12-6-3-4-9-15(12)13/h3-10H,2H2,1H3/b14-10+
InChIKey
LKIMUVKEQPRZFV-GXDHUFHOSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
10
Fraction Csp3
0.12
Rotatable bonds
3
H-bond acceptors
3
Molar refractivity
74.17
TPSA
50.09

LogP / Solubility

WLOGP
3.31
MLOGP
2.92
XLogP3
3.7
Consensus LogP
3.31
Log S (ESOL)
-3.67
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.01
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.4
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)
-1.9

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5

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