[email protected]
CAS 2055024-37-6 Acid-PEG4-Sulfone-PEG4-Acid molecular structure lightbox
CAS RN: 2055024-37-6

Acid-PEG4-Sulfone-PEG4-Acid

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251029 100mg / 250mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS2055024-37-6
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

2055024-37-6 / 3-[2-[2-[2-[2-[2-[2-[2-[2-(2-carboxyethoxy)ethoxy]ethoxy]ethoxy]ethylsulfonyl]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid

Standard CAS: 2055024-37-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2055024-37-6
Multi CAS
No
Molecular Formula
C22H42O14S
Molecular Weight
562.600000
Exact Mass
562.229527
SMILES
C(COCCOCCOCCOCCS(=O)(=O)CCOCCOCCOCCOCCC(=O)O)C(=O)O
InChI
InChI=1S/C22H42O14S/c23-21(24)1-3-29-5-7-31-9-11-33-13-15-35-17-19-37(27,28)20-18-36-16-14-34-12-10-32-8-6-30-4-2-22(25)26/h1-20H2,(H,23,24)(H,25,26)
InChIKey
NABOCNYQXCVGJL-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
37
Fraction Csp3
0.91
Rotatable bonds
30
H-bond acceptors
12
H-bond donors
2
Molar refractivity
129.71
TPSA
182.58

LogP / Solubility

WLOGP
-0.52
MLOGP
-0.41
XLogP3
-2.6
Consensus LogP
-1.18
Log S (ESOL)
-1.02
Class (ESOL)
Soluble
Log S (Ali)
-3.8
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-6.49
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
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)
-6.52

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4

Customers Also Viewed

Get In Touch

Contact Us