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CAS 2028284-71-9 m-PEG6-(CH2)8-phosphonic acid molecular structure lightbox
CAS RN: 2028284-71-9

m-PEG6-(CH2)8-phosphonic acid

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260112 100mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS2028284-71-9
  • Purity/Analytical Methods: >99.0%
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2028284-71-9 / 8-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]octylphosphonic acid

Standard CAS: 2028284-71-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2028284-71-9
Multi CAS
No
Molecular Formula
C19H41O9P
Molecular Weight
444.500000
Exact Mass
444.248820
SMILES
COCCOCCOCCOCCOCCOCCCCCCCCP(=O)(O)O
InChI
InChI=1S/C19H41O9P/c1-23-9-10-25-13-14-27-17-18-28-16-15-26-12-11-24-8-6-4-2-3-5-7-19-29(20,21)22/h2-19H2,1H3,(H2,20,21,22)
InChIKey
LVZDSZBBOIYSFN-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
29
Fraction Csp3
1
Rotatable bonds
24
H-bond acceptors
7
H-bond donors
2
Molar refractivity
110.58
TPSA
112.91

LogP / Solubility

WLOGP
2.23
MLOGP
2
Consensus LogP
1.41
Log S (ESOL)
-2.42
Class (ESOL)
Moderately soluble
Log S (Ali)
-4.82
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-7.28
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
No
Log Kp (skin permeation)
-3.85

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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