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CAS 30491-74-8 3,4′-Diamino-4-nitrodiphenyl Ether molecular structure lightbox
CAS RN: 30491-74-8

3,4′-Diamino-4-nitrodiphenyl Ether

Product Availability

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2 package records2 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20250307 1g In stock Inquiry
Batchno.20250218 5g In stock Inquiry
  • Product code: SSC-135049
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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: ≥98%
  • 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 30491-74-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥98% 0 Out of Stock Shanghai Inquiry

30491-74-8 / 5-(4-aminophenoxy)-2-nitroaniline

Standard CAS: 30491-74-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
30491-74-8
Multi CAS
No
Molecular Formula
C12H11N3O3
Molecular Weight
245.230000
Exact Mass
245.080041
InChI
InChI=1S/C12H11N3O3/c13-8-1-3-9(4-2-8)18-10-5-6-12(15(16)17)11(14)7-10/h1-7H,13-14H2
InChIKey
ZHELWQKSRPWTPN-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
12
Rotatable bonds
3
H-bond acceptors
5
H-bond donors
2
Molar refractivity
68.44
TPSA
104.41

LogP / Solubility

WLOGP
2.55
MLOGP
2.25
XLogP3
2.1
Consensus LogP
2.3
Log S (ESOL)
-3.26
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.41
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.73
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.4

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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