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CAS 669087-46-1 Acetamide, 2,2′-oxybis[N,N-bis(2-ethylhexyl)- molecular structure lightbox
CAS RN: 669087-46-1

Acetamide, 2,2′-oxybis[N,N-bis(2-ethylhexyl)-

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250728 1g / 5g Confirm by inquiry Shanghai, Shandong Inquiry
  • Product code: starshine_CAS669087-46-1
  • Purity/Analytical Methods: >99.0%
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669087-46-1 / 2-[2-[bis(2-ethylhexyl)amino]-2-oxoethoxy]-N,N-bis(2-ethylhexyl)acetamide

Standard CAS: 669087-46-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
669087-46-1
Multi CAS
No
Molecular Formula
C36H72N2O3
Molecular Weight
581.000000
Exact Mass
580.554294
InChI
InChI=1S/C36H72N2O3/c1-9-17-21-31(13-5)25-37(26-32(14-6)22-18-10-2)35(39)29-41-30-36(40)38(27-33(15-7)23-19-11-3)28-34(16-8)24-20-12-4/h31-34H,9-30H2,1-8H3
InChIKey
MJJHOBMBUANRML-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
41
Fraction Csp3
0.94
Rotatable bonds
28
H-bond acceptors
3
Molar refractivity
177.2
TPSA
49.85

LogP / Solubility

WLOGP
9.53
MLOGP
8.43
XLogP3
11.6
Consensus LogP
9.85
Log S (ESOL)
-7.6
Class (ESOL)
Insoluble
Log S (Ali)
-11.2
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-14.7
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)
0.5

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
6

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