CAS RN: 2093153-86-5
m-PEG8-(CH2)12-phosphonic acid
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.20260512 | 1mg / 5mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS2093153-86-5
- Purity/Analytical Methods: >99.0%
2093153-86-5 / 12-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]dodecylphosphonic acid
Basic Information
CAS
2093153-86-5
Multi CAS
No
Molecular Formula
C27H57O11P
Molecular Weight
588.700000
Exact Mass
588.363850
SMILES
COCCOCCOCCOCCOCCOCCOCCOCCCCCCCCCCCCP(=O)(O)O
InChI
InChI=1S/C27H57O11P/c1-31-13-14-33-17-18-35-21-22-37-25-26-38-24-23-36-20-19-34-16-15-32-12-10-8-6-4-2-3-5-7-9-11-27-39(28,29)30/h2-27H2,1H3,(H2,28,29,30)
InChIKey
NTBISXIRWIJPLV-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
39
Fraction Csp3
1
Rotatable bonds
34
H-bond acceptors
9
H-bond donors
2
Molar refractivity
150.69
TPSA
131.37
LogP / Solubility
WLOGP
3.83
MLOGP
3.42
XLogP3
1.9
Consensus LogP
3.05
Log S (ESOL)
-3.66
Class (ESOL)
Poorly soluble
Log S (Ali)
-7.15
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-10.74
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)
-3.59
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
No
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4
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- CAS RN: 2093154-03-9
- Product Code: starshine_CAS2093154-03-9
- Purity/Analytical method: >99.0%
