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CAS 76058-48-5 2,5,8,11,14-Pentaoxaoctadecane molecular structure lightbox
CAS RN: 76058-48-5

2,5,8,11,14-Pentaoxaoctadecane

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251212 100mg / 250mg / 1g Confirm by inquiry Shandong Inquiry
  • Product code: LINP907401
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76058-48-5 / 1-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]butane

Standard CAS: 76058-48-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
76058-48-5
Multi CAS
No
Molecular Formula
C13H28O5
Molecular Weight
264.360000
Exact Mass
264.193674
InChI
InChI=1S/C13H28O5/c1-3-4-5-15-8-9-17-12-13-18-11-10-16-7-6-14-2/h3-13H2,1-2H3
InChIKey
OQEQLIIVVZJHCB-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Fraction Csp3
1
Rotatable bonds
15
H-bond acceptors
5
Molar refractivity
70.06
TPSA
46.15

LogP / Solubility

WLOGP
1.5
MLOGP
1.33
XLogP3
0.8
Consensus LogP
1.21
Log S (ESOL)
-1.43
Class (ESOL)
Soluble
Log S (Ali)
-2.81
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-4.42
Class (SILICOS-IT)
Slightly 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)
-3.27

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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