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CAS 665053-99-6 2-methoxy-6-methyl-4-nitroaniline molecular structure lightbox
CAS RN: 665053-99-6

2-methoxy-6-methyl-4-nitroaniline

  • Product code: SSC-176207
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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: 10g, 0.1g, 0.25g, 1g, 5g, 25g
  • Available purity: ≥95%
  • Inventory rows with stock: 5
  • 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 665053-99-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
10g ≥95% 3 In Stock Shenzhen Inquiry
0.1g ≥95% 2 In Stock Shanghai Inquiry
0.25g ≥95% 2 In Stock Shanghai Inquiry
1g ≥95% 2 In Stock Hong Kong Inquiry
5g ≥95% 2 In Stock Shenzhen Inquiry
25g ≥95% 0 Out of Stock Shenzhen Inquiry

665053-99-6 / 2-methoxy-6-methyl-4-nitroaniline

Standard CAS: 665053-99-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
665053-99-6
Multi CAS
No
Molecular Formula
C8H10N2O3
Molecular Weight
182.180000
Exact Mass
182.069142
InChI
InChI=1S/C8H10N2O3/c1-5-3-6(10(11)12)4-7(13-2)8(5)9/h3-4H,9H2,1-2H3
InChIKey
POWOOYMMFCGHCF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
48.8
TPSA
78.39

LogP / Solubility

WLOGP
1.49
MLOGP
1.31
XLogP3
1.4
Consensus LogP
1.4
Log S (ESOL)
-2.12
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.13
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.32
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)
-2.77

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
1.5

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