[email protected]
CAS 2055041-00-2 m-PEG3-Sulfone-PEG3-t-butyl ester molecular structure lightbox
CAS RN: 2055041-00-2

m-PEG3-Sulfone-PEG3-t-butyl ester

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250215 1g Out of stock 15 business days Inquiry
  • Product code: starshine_CAS2055041-00-2
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

2055041-00-2 / tert-butyl 3-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethylsulfonyl]ethoxy]ethoxy]ethoxy]propanoate

Standard CAS: 2055041-00-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2055041-00-2
Multi CAS
No
Molecular Formula
C20H40O10S
Molecular Weight
472.600000
Exact Mass
472.234219
SMILES
CC(C)(C)OC(=O)CCOCCOCCOCCS(=O)(=O)CCOCCOCCOC
InChI
InChI=1S/C20H40O10S/c1-20(2,3)30-19(21)5-6-25-9-10-27-12-14-29-16-18-31(22,23)17-15-28-13-11-26-8-7-24-4/h5-18H2,1-4H3
InChIKey
NIESCEHPGVJPBT-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
31
Fraction Csp3
0.95
Rotatable bonds
21
H-bond acceptors
10
Molar refractivity
115.09
TPSA
115.82

LogP / Solubility

WLOGP
0.86
MLOGP
0.79
XLogP3
-0.5
Consensus LogP
0.38
Log S (ESOL)
-1.93
Class (ESOL)
Soluble
Log S (Ali)
-4.06
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.97
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)
-4.99

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

Customers Also Viewed

Get In Touch

Contact Us