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CAS 125038-14-4 2,4-DINITROPHENYLHYDRAZINE PHOSPHORIC ACID molecular structure lightbox
CAS RN: 125038-14-4

2,4-DINITROPHENYLHYDRAZINE PHOSPHORIC ACID

  • Product code: SSC-029497
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 125038-14-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

125038-14-4 / (2,4-dinitrophenyl)hydrazine;phosphoric acid

Standard CAS: 125038-14-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
125038-14-4
Multi CAS
No
Molecular Formula
C6H9N4O8P
Molecular Weight
296.130000
Exact Mass
296.015800
SMILES
C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])NN.OP(=O)(O)O
InChI
InChI=1S/C6H6N4O4.H3O4P/c7-8-5-2-1-4(9(11)12)3-6(5)10(13)14;1-5(2,3)4/h1-3,8H,7H2;(H3,1,2,3,4)
InChIKey
RYSWHUOYGUCXQB-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
6
Rotatable bonds
3
H-bond acceptors
7
H-bond donors
5
Molar refractivity
61.82
TPSA
202.09

LogP / Solubility

WLOGP
-0.14
MLOGP
-0.11
XLogP3
-0.14
Consensus LogP
-0.13
Log S (ESOL)
-1.62
Class (ESOL)
Soluble
Log S (Ali)
-1.89
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.83
Class (SILICOS-IT)
Soluble

ADME

GI absorption
Low
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)
-4.63

Drug-likeness / Medicinal Chemistry

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

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