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CAS 5407-25-0 AMINO-(4-NITRO-PHENYL)-ACETIC ACID molecular structure lightbox
CAS RN: 5407-25-0

AMINO-(4-NITRO-PHENYL)-ACETIC ACID

  • Product code: SSC-161594
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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
  • Available purity: >95%
  • Inventory rows with stock: 3
  • 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 5407-25-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >95% 5 In Stock Hong Kong Inquiry
0.25g >95% 5 In Stock Shanghai Inquiry
1g >95% 5 In Stock Beijing Inquiry

5407-25-0 / 2-amino-2-(4-nitrophenyl)acetic acid

Standard CAS: 5407-25-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
5407-25-0
Multi CAS
Yes
Molecular Formula
C8H8N2O4
Molecular Weight
196.160000
Exact Mass
196.048407
InChI
InChI=1S/C8H8N2O4/c9-7(8(11)12)5-1-3-6(4-2-5)10(13)14/h1-4,7H,9H2,(H,11,12)
InChIKey
XCVDAQWKJUCVHJ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.12
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
2
Molar refractivity
47.66
TPSA
106.46

LogP / Solubility

WLOGP
0.68
MLOGP
0.6
XLogP3
-1.9
Consensus LogP
-0.21
Log S (ESOL)
-1.6
Class (ESOL)
Soluble
Log S (Ali)
-1.66
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.86
Class (SILICOS-IT)
Soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.43

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
2

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