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CAS 196194-99-7 2-Amino-4-nitro-5-methoxybenzoic Acid molecular structure lightbox
CAS RN: 196194-99-7

2-Amino-4-nitro-5-methoxybenzoic Acid

  • Product code: SSC-092689
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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: 0.25g, 1g, 0.1g, 5g
  • Available purity: ≥95%
  • 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 196194-99-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 1 In Stock Beijing Inquiry
1g ≥95% 1 In Stock Shenzhen Inquiry
0.1g ≥95% 0 Out of Stock Hong Kong Inquiry
5g ≥95% 0 Out of Stock Hong Kong Inquiry

196194-99-7 / 2-amino-5-methoxy-4-nitrobenzoic acid

Standard CAS: 196194-99-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
196194-99-7
Multi CAS
No
Molecular Formula
C8H8N2O5
Molecular Weight
212.160000
Exact Mass
212.043321
SMILES
COC1=C(C=C(C(=C1)C(=O)O)N)[N+](=O)[O-]
InChI
InChI=1S/C8H8N2O5/c1-15-7-2-4(8(11)12)5(9)3-6(7)10(13)14/h2-3H,9H2,1H3,(H,11,12)
InChIKey
SDGOTDAQMBDEOT-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.12
Rotatable bonds
3
H-bond acceptors
5
H-bond donors
2
Molar refractivity
51.02
TPSA
115.69

LogP / Solubility

WLOGP
0.88
MLOGP
0.78
XLogP3
1.6
Consensus LogP
1.09
Log S (ESOL)
-1.81
Class (ESOL)
Soluble
Log S (Ali)
-1.94
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.13
Class (SILICOS-IT)
Moderately 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)
-3.39

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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