CAS RN: 1807537-36-5
C18-PEG4-Amine
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250810 | 50mg / 250mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1807537-36-5
- Purity/Analytical Methods: >99.0%
1807537-36-5 / 2-[2-[2-(2-octadecoxyethoxy)ethoxy]ethoxy]ethanamine
Basic Information
CAS
1807537-36-5
Multi CAS
No
Molecular Formula
C26H55NO4
Molecular Weight
445.700000
Exact Mass
445.413109
SMILES
CCCCCCCCCCCCCCCCCCOCCOCCOCCOCCN
InChI
InChI=1S/C26H55NO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-28-21-23-30-25-26-31-24-22-29-20-18-27/h2-27H2,1H3
InChIKey
XNBZKOAMRXTXHO-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
31
Fraction Csp3
1
Rotatable bonds
28
H-bond acceptors
5
H-bond donors
1
Molar refractivity
131.88
TPSA
62.94
LogP / Solubility
WLOGP
6.27
MLOGP
5.55
XLogP3
7.5
Consensus LogP
6.44
Log S (ESOL)
-4.71
Class (ESOL)
Slightly soluble
Log S (Ali)
-7.74
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-11.12
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)
-0.99
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
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