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CAS 33890-03-8 4-Aminoisophthalic acid molecular structure lightbox
CAS RN: 33890-03-8

4-Aminoisophthalic acid

Product Availability

Choose a grade to view its available package options.

8 package records8 with current stock3 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20251222 1g In stock Inquiry
Batchno.20250220 250mg In stock Inquiry
Batchno.20250613 5g In stock Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260516 250mg / 1g / 5g Confirm by inquiry Shanghai, Shandong 8-10 business days Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250405 100mg In stock Shanghai Inquiry
Batchno.20260326 1g In stock Shanghai Inquiry
Batchno.20251008 250mg In stock Shanghai, Shenzhen Inquiry
Batchno.20250920 5g In stock Shanghai, Tianjin Inquiry
  • Product code: SSC-140055
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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 33890-03-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Hong Kong Inquiry

33890-03-8 / 4-aminobenzene-1,3-dicarboxylic acid

Standard CAS: 33890-03-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
33890-03-8
Multi CAS
No
Molecular Formula
C8H7NO4
Molecular Weight
181.150000
Exact Mass
181.037508
InChI
InChI=1S/C8H7NO4/c9-6-2-1-4(7(10)11)3-5(6)8(12)13/h1-3H,9H2,(H,10,11)(H,12,13)
InChIKey
BDBLLWHZWCBDAR-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
3
Molar refractivity
44.77
TPSA
100.62

LogP / Solubility

WLOGP
0.67
MLOGP
0.58
XLogP3
0.5
Consensus LogP
0.58
Log S (ESOL)
-1.59
Class (ESOL)
Soluble
Log S (Ali)
-1.53
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.63
Class (SILICOS-IT)
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)
-3.35

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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