CAS RN: 196194-98-6
2-Acetamido-5-methoxy-4-nitrobenzoic Acid
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250809 | 1g / 5g | Out of stock | 8-10 business days | Inquiry |
- Product code: SSC-092688
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, 0.1g, 0.25g
- Available purity: >97%
- Inventory rows with stock: 2
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
196194-98-6 / 2-acetamido-5-methoxy-4-nitrobenzoic acid
Basic Information
CAS
196194-98-6
Multi CAS
No
Molecular Formula
C10H10N2O6
Molecular Weight
254.200000
Exact Mass
254.053886
SMILES
CC(=O)NC1=CC(=C(C=C1C(=O)O)OC)[N+](=O)[O-]
InChI
InChI=1S/C10H10N2O6/c1-5(13)11-7-4-8(12(16)17)9(18-2)3-6(7)10(14)15/h3-4H,1-2H3,(H,11,13)(H,14,15)
InChIKey
QWIICWOSUUZYES-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
6
Fraction Csp3
0.2
Rotatable bonds
4
H-bond acceptors
5
H-bond donors
2
Molar refractivity
60.91
TPSA
118.77
LogP / Solubility
WLOGP
1.26
MLOGP
1.12
XLogP3
1
Consensus LogP
1.13
Log S (ESOL)
-2.19
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.55
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.84
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.38
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5
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