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CAS 67615-89-8 2,2′-[1,2-Ethanediylbis(oxy)]bis(N,N-dioctylacetamide) molecular structure lightbox
CAS RN: 67615-89-8

2,2′-[1,2-Ethanediylbis(oxy)]bis(N,N-dioctylacetamide)

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250205 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS67615-89-8
  • Purity/Analytical Methods: >99.0%
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67615-89-8 / 2-[2-[2-(dioctylamino)-2-oxoethoxy]ethoxy]-N,N-dioctylacetamide

Standard CAS: 67615-89-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
67615-89-8
Multi CAS
Yes
Molecular Formula
C38H76N2O4
Molecular Weight
625.000000
Exact Mass
624.580509
InChI
InChI=1S/C38H76N2O4/c1-5-9-13-17-21-25-29-39(30-26-22-18-14-10-6-2)37(41)35-43-33-34-44-36-38(42)40(31-27-23-19-15-11-7-3)32-28-24-20-16-12-8-4/h5-36H2,1-4H3
InChIKey
POWSNDFKAKPLBR-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
44
Fraction Csp3
0.95
Rotatable bonds
35
H-bond acceptors
4
Molar refractivity
188.3
TPSA
59.08

LogP / Solubility

WLOGP
10.12
MLOGP
8.96
XLogP3
12.7
Consensus LogP
10.59
Log S (ESOL)
-7.78
Class (ESOL)
Insoluble
Log S (Ali)
-11.99
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-16.32
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
0.65

Drug-likeness / Medicinal Chemistry

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

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