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CAS 59338-84-0 4-Amino-2-methoxy-5-nitrobenzoicacid methyl ester molecular structure lightbox
CAS RN: 59338-84-0

4-Amino-2-methoxy-5-nitrobenzoicacid methyl ester

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260114 100mg / 250mg / 1g / 5g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-167809
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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: ≥95%
  • 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 59338-84-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

59338-84-0 / methyl 4-amino-2-methoxy-5-nitrobenzoate

Standard CAS: 59338-84-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
59338-84-0
Multi CAS
Yes
Molecular Formula
C9H10N2O5
Molecular Weight
226.190000
Exact Mass
226.058971
InChI
InChI=1S/C9H10N2O5/c1-15-8-4-6(10)7(11(13)14)3-5(8)9(12)16-2/h3-4H,10H2,1-2H3
InChIKey
CUJURECWKNETII-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.22
Rotatable bonds
3
H-bond acceptors
6
H-bond donors
1
Molar refractivity
55.4
TPSA
104.69

LogP / Solubility

WLOGP
0.97
MLOGP
0.86
XLogP3
1.9
Consensus LogP
1.24
Log S (ESOL)
-1.93
Class (ESOL)
Soluble
Log S (Ali)
-2.12
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.3
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)
-3.41

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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