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CAS 16057-43-5 DIETHYLENE GLYCOL MONOOCTADECYL ETHER* molecular structure lightbox
CAS RN: 16057-43-5

DIETHYLENE GLYCOL MONOOCTADECYL ETHER*

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260129 25g / 100g / 500g Confirm by inquiry Shanghai, Shandong, Hebei 8-10 business days Inquiry
  • Product code: starshine_CAS16057-43-5
  • Purity/Analytical Methods: >99.0%
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16057-43-5 / 2-(2-octadecoxyethoxy)ethanol

Standard CAS: 16057-43-5 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
16057-43-5
Multi CAS
No
Molecular Formula
C22H46O3
Molecular Weight
358.600000
Exact Mass
358.344695
SMILES
CCCCCCCCCCCCCCCCCCOCCOCCO
InChI
InChI=1S/C22H46O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-24-21-22-25-20-18-23/h23H,2-22H2,1H3
InChIKey
ILCOCZBHMDEIAI-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
25
Fraction Csp3
1
Rotatable bonds
22
H-bond acceptors
3
H-bond donors
1
Molar refractivity
108.27
TPSA
38.69

LogP / Solubility

WLOGP
6.27
MLOGP
5.54
XLogP3
8.2
Consensus LogP
6.67
Log S (ESOL)
-4.56
Class (ESOL)
Slightly soluble
Log S (Ali)
-7.03
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.84
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
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-0.45

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

Safety & Transport

Pictogram(s)
Corrosive
Signal
Danger
GHS Hazard Statements
H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
Precautionary Statement Codes
P264+P265, P280, P305+P354+P338, and P317

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