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CAS 1627844-78-3 4,4′-Bis(decyloxy)-3-methylazobenzene molecular structure lightbox
CAS RN: 1627844-78-3

4,4′-Bis(decyloxy)-3-methylazobenzene

  • Product code: SSC-070163
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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: ≥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 1627844-78-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Hong Kong Inquiry

1627844-78-3 / (4-decoxy-3-methylphenyl)-(4-decoxyphenyl)diazene

Standard CAS: 1627844-78-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1627844-78-3
Multi CAS
No
Molecular Formula
C33H52N2O2
Molecular Weight
508.800000
Exact Mass
508.402879
SMILES
CCCCCCCCCCOC1=CC=C(C=C1)N=NC2=CC(=C(C=C2)OCCCCCCCCCC)C
InChI
InChI=1S/C33H52N2O2/c1-4-6-8-10-12-14-16-18-26-36-32-23-20-30(21-24-32)34-35-31-22-25-33(29(3)28-31)37-27-19-17-15-13-11-9-7-5-2/h20-25,28H,4-19,26-27H2,1-3H3
InChIKey
HBJQHHIKMMWGLL-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
37
Aromatic heavy atom count
12
Fraction Csp3
0.64
Rotatable bonds
22
H-bond acceptors
4
Molar refractivity
158.01
TPSA
43.18

LogP / Solubility

WLOGP
11.45
MLOGP
10.11
XLogP3
13
Consensus LogP
11.52
Log S (ESOL)
-9
Class (ESOL)
Insoluble
Log S (Ali)
-12
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-15.11
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)
2.31

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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