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CAS 361162-90-5 2-AcetaMido-4-Methoxy-5-nitrotoluene molecular structure lightbox
CAS RN: 361162-90-5

2-AcetaMido-4-Methoxy-5-nitrotoluene

  • Product code: SSC-143237
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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 361162-90-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Hong Kong Inquiry

361162-90-5 / N-(5-methoxy-2-methyl-4-nitrophenyl)acetamide

Standard CAS: 361162-90-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
361162-90-5
Multi CAS
Yes
Molecular Formula
C10H12N2O4
Molecular Weight
224.210000
Exact Mass
224.079707
InChI
InChI=1S/C10H12N2O4/c1-6-4-9(12(14)15)10(16-3)5-8(6)11-7(2)13/h4-5H,1-3H3,(H,11,13)
InChIKey
UNGJDCICXXTFHD-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.3
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
1
Molar refractivity
58.69
TPSA
81.47

LogP / Solubility

WLOGP
1.87
MLOGP
1.65
XLogP3
1.3
Consensus LogP
1.61
Log S (ESOL)
-2.49
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.75
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.03
Class (SILICOS-IT)
Poorly 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)
-2.76

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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