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CAS 132257-69-3 4,4′-[Naphthalene-2,7-diylbis(oxy)]dianiline molecular structure lightbox
CAS RN: 132257-69-3

4,4′-[Naphthalene-2,7-diylbis(oxy)]dianiline

  • Product code: SSC-039228
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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 132257-69-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞95% 0 Out of Stock Shanghai Inquiry

132257-69-3 / 4-[7-(4-aminophenoxy)naphthalen-2-yl]oxyaniline

Standard CAS: 132257-69-3 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
132257-69-3
Multi CAS
No
Molecular Formula
C22H18N2O2
Molecular Weight
342.400000
Exact Mass
342.136828
SMILES
C1=CC(=CC2=C1C=CC(=C2)OC3=CC=C(C=C3)N)OC4=CC=C(C=C4)N
InChI
InChI=1S/C22H18N2O2/c23-17-3-9-19(10-4-17)25-21-7-1-15-2-8-22(14-16(15)13-21)26-20-11-5-18(24)6-12-20/h1-14H,23-24H2
InChIKey
NGHVXWLOTSZENC-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
26
Aromatic heavy atom count
22
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
2
Molar refractivity
105.8
TPSA
70.5

LogP / Solubility

WLOGP
5.59
MLOGP
4.94
XLogP3
4.9
Consensus LogP
5.14
Log S (ESOL)
-5.85
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.4
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-0.84

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement Codes
P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364

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