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CAS 217314-47-1 METHYL 3-AMINO-5-METHOXYBENZOATE molecular structure lightbox
CAS RN: 217314-47-1

METHYL 3-AMINO-5-METHOXYBENZOATE

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251109 250mg / 1g / 5g / 25g Out of stock 8-10 business days Inquiry
  • Product code: SSC-104843
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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: 5g
  • 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 217314-47-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ＞97% 0 Out of Stock Shanghai Inquiry

217314-47-1 / methyl 3-amino-5-methoxybenzoate

Standard CAS: 217314-47-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
217314-47-1
Multi CAS
No
Molecular Formula
C9H11NO3
Molecular Weight
181.190000
Exact Mass
181.073893
SMILES
COC1=CC(=CC(=C1)N)C(=O)OC
InChI
InChI=1S/C9H11NO3/c1-12-8-4-6(9(11)13-2)3-7(10)5-8/h3-5H,10H2,1-2H3
InChIKey
OWMZQNZFHGAVCN-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.22
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
48.75
TPSA
61.55

LogP / Solubility

WLOGP
1.06
MLOGP
0.93
XLogP3
1.5
Consensus LogP
1.16
Log S (ESOL)
-1.84
Class (ESOL)
Soluble
Log S (Ali)
-1.81
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.96
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)
-3.07

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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