CAS RN: 1807512-42-0
m-PEG5-phosphonic acid ethyl ester
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.20250414 | 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS1807512-42-0
- Purity/Analytical Methods: >99.0%
1807512-42-0 / 1-[2-[2-[2-(2-diethoxyphosphorylethoxy)ethoxy]ethoxy]ethoxy]-2-methoxyethane
Basic Information
CAS
1807512-42-0
Multi CAS
No
Molecular Formula
C15H33O8P
Molecular Weight
372.390000
Exact Mass
372.191305
SMILES
CCOP(=O)(CCOCCOCCOCCOCCOC)OCC
InChI
InChI=1S/C15H33O8P/c1-4-22-24(16,23-5-2)15-14-21-13-12-20-11-10-19-9-8-18-7-6-17-3/h4-15H2,1-3H3
InChIKey
COMONJQWUBCUJE-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
24
Fraction Csp3
1
Rotatable bonds
19
H-bond acceptors
8
Molar refractivity
90.88
TPSA
81.68
LogP / Solubility
WLOGP
1.97
MLOGP
1.75
XLogP3
-0.5
Consensus LogP
1.07
Log S (ESOL)
-2.13
Class (ESOL)
Moderately soluble
Log S (Ali)
-4.03
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.99
Class (SILICOS-IT)
Slightly soluble
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
No
Log Kp (skin permeation)
-3.6
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
2.5
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- Product Code: starshine_CAS1807512-43-1
- Purity/Analytical method: >99.0%
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