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CAS 18226-17-0 2,2′-[(4-nitrophenyl)imino]bisethanol molecular structure lightbox
CAS RN: 18226-17-0

2,2′-[(4-nitrophenyl)imino]bisethanol

Product Availability

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3 package records3 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20260623 1g In stock Inquiry
Batchno.20260328 250mg In stock Inquiry
Batchno.20260105 5g In stock Inquiry
  • Product code: SSC-083337
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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 18226-17-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ＞97% 0 Out of Stock Hong Kong Inquiry

18226-17-0 / 2-[N-(2-hydroxyethyl)-4-nitroanilino]ethanol

Standard CAS: 18226-17-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
18226-17-0
Multi CAS
No
Molecular Formula
C10H14N2O4
Molecular Weight
226.230000
Exact Mass
226.095357
SMILES
C1=CC(=CC=C1N(CCO)CCO)[N+](=O)[O-]
InChI
InChI=1S/C10H14N2O4/c13-7-5-11(6-8-14)9-1-3-10(4-2-9)12(15)16/h1-4,13-14H,5-8H2
InChIKey
CDEQUHCAZLSDTD-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.4
Rotatable bonds
6
H-bond acceptors
5
H-bond donors
2
Molar refractivity
59.48
TPSA
86.84

LogP / Solubility

WLOGP
0.39
MLOGP
0.34
XLogP3
0.5
Consensus LogP
0.41
Log S (ESOL)
-1.37
Class (ESOL)
Soluble
Log S (Ali)
-1.69
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.17
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)
-3.83

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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