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CAS 21217-75-4 2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl methacrylate molecular structure lightbox
CAS RN: 21217-75-4

2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl methacrylate

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Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251005 100mg In stock Shanghai Inquiry
  • Product code: starshine_CAS21217-75-4
  • Purity/Analytical Methods: >99.0%
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21217-75-4 / 2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl 2-methylprop-2-enoate

Standard CAS: 21217-75-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
21217-75-4
Multi CAS
No
Molecular Formula
C12H22O6
Molecular Weight
262.300000
Exact Mass
262.141638
SMILES
CC(=C)C(=O)OCCOCCOCCOCCO
InChI
InChI=1S/C12H22O6/c1-11(2)12(14)18-10-9-17-8-7-16-6-5-15-4-3-13/h13H,1,3-10H2,2H3
InChIKey
MCWMYICYUGCRDY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Fraction Csp3
0.75
Rotatable bonds
12
H-bond acceptors
6
H-bond donors
1
Molar refractivity
65.32
TPSA
74.22

LogP / Solubility

WLOGP
0.15
MLOGP
0.14
Consensus LogP
0.1
Log S (ESOL)
-0.77
Class (ESOL)
Very soluble
Log S (Ali)
-1.82
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.93
Class (SILICOS-IT)
Moderately 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)
-4.22

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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