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CAS 2312-14-3 4,4′-Didodecyloxyazoxybenzene molecular structure lightbox
CAS RN: 2312-14-3

4,4′-Didodecyloxyazoxybenzene

  • Product code: SSC-112604
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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 2312-14-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥98% 0 Out of Stock Shenzhen Inquiry

2312-14-3 / (4-dodecoxyphenyl)-(4-dodecoxyphenyl)imino-oxidoazanium

Standard CAS: 2312-14-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2312-14-3
Multi CAS
No
Molecular Formula
C36H58N2O3
Molecular Weight
566.900000
Exact Mass
566.444744
SMILES
CCCCCCCCCCCCOC1=CC=C(C=C1)N=[N+](C2=CC=C(C=C2)OCCCCCCCCCCCC)[O-]
InChI
InChI=1S/C36H58N2O3/c1-3-5-7-9-11-13-15-17-19-21-31-40-35-27-23-33(24-28-35)37-38(39)34-25-29-36(30-26-34)41-32-22-20-18-16-14-12-10-8-6-4-2/h23-30H,3-22,31-32H2,1-2H3
InChIKey
RFLXFGRPXYHTKL-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
41
Aromatic heavy atom count
12
Fraction Csp3
0.67
Rotatable bonds
26
H-bond acceptors
4
Molar refractivity
172.94
TPSA
56.89

LogP / Solubility

WLOGP
12.21
MLOGP
10.79
XLogP3
14.3
Consensus LogP
12.43
Log S (ESOL)
-9.55
Class (ESOL)
Insoluble
Log S (Ali)
-13.03
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-16.6
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
2.49

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
PAINS alerts
1
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4

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