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CAS 18268-70-7 3,6,9-Trioxaundecamethylene bis(2-ethylhexanoate) molecular structure lightbox
CAS RN: 18268-70-7

3,6,9-Trioxaundecamethylene bis(2-ethylhexanoate)

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260107 1g / 5g / 25g / 100g Confirm by inquiry Shandong Inquiry
  • Product code: starshine_CAS18268-70-7
  • Purity/Analytical Methods: >99.0%
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18268-70-7 / 2-[2-[2-[2-(2-ethylhexanoyloxy)ethoxy]ethoxy]ethoxy]ethyl 2-ethylhexanoate

Standard CAS: 18268-70-7 Multi CAS: No
Basic Information Physical Properties Computed Properties Safety & Transport

Basic Information

CAS
18268-70-7
Multi CAS
No
Molecular Formula
C24H46O7
Molecular Weight
446.600000
Exact Mass
446.324354
SMILES
CCCCC(CC)C(=O)OCCOCCOCCOCCOC(=O)C(CC)CCCC
InChI
InChI=1S/C24H46O7/c1-5-9-11-21(7-3)23(25)30-19-17-28-15-13-27-14-16-29-18-20-31-24(26)22(8-4)12-10-6-2/h21-22H,5-20H2,1-4H3
InChIKey
GYHPTPQZVBYHLC-UHFFFAOYSA-N

Physical Properties

Physical Description
Liquid Liquid
State
Liquid

Computed Properties

Structural Parameters

Heavy atom count
31
Fraction Csp3
0.92
Rotatable bonds
22
H-bond acceptors
7
Molar refractivity
120.99
TPSA
80.29

LogP / Solubility

WLOGP
4.56
MLOGP
4.04
XLogP3
5.2
Consensus LogP
4.6
Log S (ESOL)
-4.03
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.51
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.98
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.21

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
No
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3.5

Safety & Transport

GHS Hazard Statements
Not Classified Reported as not meeting GHS hazard criteria by 552 of 557 companies (only 0.9% companies provided GHS information). For more detailed information, please visit ECHA C&L website.

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