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CAS 16554-47-5 3-Methoxy-2-nitroaniline molecular structure lightbox
CAS RN: 16554-47-5

3-Methoxy-2-nitroaniline

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250226 50mg / 250mg / 1g / 5g / 25g Confirm by inquiry Shanghai, Shandong 5-7 business days Inquiry
  • Product code: SSC-072301
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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: 1g, 5g, 10g, 25g
  • Available purity: ≥97%
  • Inventory rows with stock: 2
  • 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 16554-47-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥97% 2 In Stock Beijing Inquiry
5g ≥97% 1 In Stock Shanghai Inquiry
10g ≥97% 0 Out of Stock Beijing Inquiry
25g ≥97% 0 Out of Stock Beijing Inquiry

16554-47-5 / 3-methoxy-2-nitroaniline

Standard CAS: 16554-47-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
16554-47-5
Multi CAS
No
Molecular Formula
C7H8N2O3
Molecular Weight
168.150000
Exact Mass
168.053492
SMILES
COC1=CC=CC(=C1[N+](=O)[O-])N
InChI
InChI=1S/C7H8N2O3/c1-12-6-4-2-3-5(8)7(6)9(10)11/h2-4H,8H2,1H3
InChIKey
RITQAMSEQYWFML-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.14
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
44.06
TPSA
78.39

LogP / Solubility

WLOGP
1.19
MLOGP
1.04
XLogP3
1.6
Consensus LogP
1.28
Log S (ESOL)
-1.87
Class (ESOL)
Soluble
Log S (Ali)
-1.79
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.98
Class (SILICOS-IT)
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)
-2.9

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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