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CAS 6954-69-4 2,5-DIMETHYL-4-NITRO ACETANILIDE molecular structure lightbox
CAS RN: 6954-69-4

2,5-DIMETHYL-4-NITRO ACETANILIDE

  • Product code: SSC-179249
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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: 5g
  • 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 6954-69-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Shenzhen Inquiry

6954-69-4 / N-(2,5-dimethyl-4-nitrophenyl)acetamide

Standard CAS: 6954-69-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
6954-69-4
Multi CAS
Yes
Molecular Formula
C10H12N2O3
Molecular Weight
208.210000
Exact Mass
208.084792
InChI
InChI=1S/C10H12N2O3/c1-6-5-10(12(14)15)7(2)4-9(6)11-8(3)13/h4-5H,1-3H3,(H,11,13)
InChIKey
IPRXWEPMOALPTO-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.3
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
56.87
TPSA
72.24

LogP / Solubility

WLOGP
2.17
MLOGP
1.91
XLogP3
0.8
Consensus LogP
1.63
Log S (ESOL)
-2.66
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.83
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.05
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)
-2.45

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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