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CAS 31912-02-4 2-NITROPHENYL ACETIC ACID ETHYL ESTER molecular structure lightbox
CAS RN: 31912-02-4

2-NITROPHENYL ACETIC ACID ETHYL ESTER

  • Product code: SSC-137364
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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
  • 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 31912-02-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >97% 3 In Stock Hong Kong Inquiry
5g >97% 2 In Stock Beijing Inquiry

31912-02-4 / ethyl 2-(2-nitrophenyl)acetate

Standard CAS: 31912-02-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
31912-02-4
Multi CAS
Yes
Molecular Formula
C10H11NO4
Molecular Weight
209.200000
Exact Mass
209.068808
InChI
InChI=1S/C10H11NO4/c1-2-15-10(12)7-8-5-3-4-6-9(8)11(13)14/h3-6H,2,7H2,1H3
InChIKey
CJHXMQCYEILGFT-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.3
Rotatable bonds
4
H-bond acceptors
4
Molar refractivity
53.43
TPSA
69.44

LogP / Solubility

WLOGP
1.7
MLOGP
1.5
XLogP3
2.3
Consensus LogP
1.83
Log S (ESOL)
-2.24
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.5
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.91
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)
-2.79

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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