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CAS 66757-87-7 3-(2-NITRO-PHENYL)-PROPIONIC ACID ETHYL ESTER molecular structure lightbox
CAS RN: 66757-87-7

3-(2-NITRO-PHENYL)-PROPIONIC ACID ETHYL ESTER

  • Product code: SSC-176424
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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: 5g, 0.25g, 0.1g, 1g
  • Available purity: >97%
  • Inventory rows with stock: 2
  • 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 66757-87-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g >97% 5 In Stock Hong Kong Inquiry
0.25g >97% 2 In Stock Hong Kong Inquiry
0.1g >97% 0 Out of Stock Shenzhen Inquiry
1g >97% 0 Out of Stock Beijing Inquiry

66757-87-7 / ethyl 3-(2-nitrophenyl)propanoate

Standard CAS: 66757-87-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
66757-87-7
Multi CAS
No
Molecular Formula
C11H13NO4
Molecular Weight
223.220000
Exact Mass
223.084458
InChI
InChI=1S/C11H13NO4/c1-2-16-11(13)8-7-9-5-3-4-6-10(9)12(14)15/h3-6H,2,7-8H2,1H3
InChIKey
NXPDBIQALSQRCP-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.36
Rotatable bonds
5
H-bond acceptors
4
Molar refractivity
58.05
TPSA
69.44

LogP / Solubility

WLOGP
2.09
MLOGP
1.84
XLogP3
2.2
Consensus LogP
2.04
Log S (ESOL)
-2.49
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.9
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.45
Class (SILICOS-IT)
Poorly 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)
-2.6

Drug-likeness / Medicinal Chemistry

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

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