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CAS 861306-04-9 3-Amino-2-methoxybenzoic Acid molecular structure lightbox
CAS RN: 861306-04-9

3-Amino-2-methoxybenzoic Acid

Product Availability

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5 package records4 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260103 1g In stock Inquiry
Batchno.20250301 200mg / 1g / 5g Out of stock 5-7 business days Inquiry
Batchno.20260205 250mg In stock Inquiry
Batchno.20260503 25g In stock Inquiry
Batchno.20250902 5g In stock Inquiry
  • Product code: SSC-194988
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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 861306-04-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥97% 0 Out of Stock Hong Kong Inquiry

861306-04-9 / 3-amino-2-methoxybenzoic acid

Standard CAS: 861306-04-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
861306-04-9
Multi CAS
Yes
Molecular Formula
C8H9NO3
Molecular Weight
167.160000
Exact Mass
167.058243
InChI
InChI=1S/C8H9NO3/c1-12-7-5(8(10)11)3-2-4-6(7)9/h2-4H,9H2,1H3,(H,10,11)
InChIKey
ZBQFWVIYNLHFMO-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
44.37
TPSA
72.55

LogP / Solubility

WLOGP
0.98
MLOGP
0.85
XLogP3
0.7
Consensus LogP
0.84
Log S (ESOL)
-1.73
Class (ESOL)
Soluble
Log S (Ali)
-1.64
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.8
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)
-3.05

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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