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CAS 58651-55-1 2-Propenoic acid, 3-ethoxy-2-nitro-, ethyl ester molecular structure lightbox
CAS RN: 58651-55-1

2-Propenoic acid, 3-ethoxy-2-nitro-, ethyl ester

  • Product code: SSC-166975
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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, 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 58651-55-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >95% 5 In Stock Shenzhen Inquiry
0.25g >95% 5 In Stock Shenzhen Inquiry
1g >95% 5 In Stock Shanghai Inquiry
5g >95% 5 In Stock Shenzhen Inquiry
10g >95% 5 In Stock Shanghai Inquiry

58651-55-1 / ethyl (E)-3-ethoxy-2-nitroprop-2-enoate

Standard CAS: 58651-55-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
58651-55-1
Multi CAS
Yes
Molecular Formula
C7H11NO5
Molecular Weight
189.170000
Exact Mass
189.063722
InChI
InChI=1S/C7H11NO5/c1-3-12-5-6(8(10)11)7(9)13-4-2/h5H,3-4H2,1-2H3/b6-5+
InChIKey
NCRBAZRGVXAEOT-WAYWQWQTSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Fraction Csp3
0.57
Rotatable bonds
5
H-bond acceptors
5
Molar refractivity
43.34
TPSA
78.67

LogP / Solubility

WLOGP
0.7
MLOGP
0.62
XLogP3
1.1
Consensus LogP
0.81
Log S (ESOL)
-1.13
Class (ESOL)
Soluble
Log S (Ali)
-1.62
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.07
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.37

Drug-likeness / Medicinal Chemistry

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

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