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CAS 22961-58-6 5-AMINO-2-METHOXY-BENZAMIDE molecular structure lightbox
CAS RN: 22961-58-6

5-AMINO-2-METHOXY-BENZAMIDE

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250222 250mg / 1g / 5g / 25g Out of stock 8-10 business days Inquiry
  • Product code: SSC-111627
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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: 1g
  • Available purity: ＞97%
  • 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 22961-58-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shenzhen Inquiry

22961-58-6 / 5-amino-2-methoxybenzamide

Standard CAS: 22961-58-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
22961-58-6
Multi CAS
No
Molecular Formula
C8H10N2O2
Molecular Weight
166.180000
Exact Mass
166.074228
SMILES
COC1=C(C=C(C=C1)N)C(=O)N
InChI
InChI=1S/C8H10N2O2/c1-12-7-3-2-5(9)4-6(7)8(10)11/h2-4H,9H2,1H3,(H2,10,11)
InChIKey
JMOGARYRWMUPAE-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.12
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
2
Molar refractivity
45.92
TPSA
78.34

LogP / Solubility

WLOGP
0.38
MLOGP
0.33
XLogP3
0.2
Consensus LogP
0.3
Log S (ESOL)
-1.35
Class (ESOL)
Soluble
Log S (Ali)
-1.19
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.29
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)
-3.47

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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