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CAS 1191-87-3 2,5,8,11,14,17-Hexaoxaoctadecane molecular structure lightbox
CAS RN: 1191-87-3

2,5,8,11,14,17-Hexaoxaoctadecane

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3 package records2 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260215 1g Out of stock 5-7 business days Inquiry
Batchno.20251218 250mg In stock Shandong Inquiry
Batchno.20260623 50mg In stock Shanghai Inquiry
  • Product code: LINH905105
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1191-87-3 / 1-methoxy-2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethane

2,5,8,11,14,17-Hexaoxaoctadecane | pentaglyme | 1-(2-METHOXY-ETHOXY)-2-{2-[2-(2-METHOXY-ETHOXY]-ETHOXY}-ETHANE

Standard CAS: 1191-87-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1191-87-3
Multi CAS
Yes
Molecular Formula
C12H26O6
Molecular Weight
266.330000
Exact Mass
266.172939
SMILES
COCCOCCOCCOCCOCCOC
InChI
InChI=1S/C12H26O6/c1-13-3-5-15-7-9-17-11-12-18-10-8-16-6-4-14-2/h3-12H2,1-2H3
InChIKey
DMDPGPKXQDIQQG-UHFFFAOYSA-N
Synonyms
2,5,8,11,14,17-Hexaoxaoctadecane pentaglyme 1-(2-METHOXY-ETHOXY)-2-{2-[2-(2-METHOXY-ETHOXY]-ETHOXY}-ETHANE EINECS 214-743-5 CHEBI:44934

Computed Properties

Structural Parameters

Heavy atom count
18
Fraction Csp3
1
Rotatable bonds
15
H-bond acceptors
6
Molar refractivity
67.03
TPSA
55.38

LogP / Solubility

WLOGP
0.35
MLOGP
0.31
XLogP3
-0.8
Consensus LogP
-0.05
Log S (ESOL)
-0.72
Class (ESOL)
Very soluble
Log S (Ali)
-1.99
Class (Ali)
Soluble
Log S (SILICOS-IT)
-3.48
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.1

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
No
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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