[email protected]
CAS 2093153-09-2 N-(Propargyl-PEG4)-N-bis(PEG4-acid) HCl salt molecular structure lightbox
CAS RN: 2093153-09-2

N-(Propargyl-PEG4)-N-bis(PEG4-acid) HCl salt

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250818 250mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS2093153-09-2
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

2093153-09-2 / 3-[2-[2-[2-[2-[2-[2-[2-[2-(2-carboxyethoxy)ethoxy]ethoxy]ethoxy]ethyl-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid

Standard CAS: 2093153-09-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2093153-09-2
Multi CAS
No
Molecular Formula
C33H61NO16
Molecular Weight
727.800000
Exact Mass
727.399035
SMILES
C#CCOCCOCCOCCOCCN(CCOCCOCCOCCOCCC(=O)O)CCOCCOCCOCCOCCC(=O)O
InChI
InChI=1S/C33H61NO16/c1-2-8-39-14-20-45-26-29-48-23-17-42-11-5-34(6-12-43-18-24-49-30-27-46-21-15-40-9-3-32(35)36)7-13-44-19-25-50-31-28-47-22-16-41-10-4-33(37)38/h1H,3-31H2,(H,35,36)(H,37,38)
InChIKey
QTELQFWGTOEVNF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
50
Fraction Csp3
0.88
Rotatable bonds
43
H-bond acceptors
15
H-bond donors
2
Molar refractivity
179.61
TPSA
188.6

LogP / Solubility

WLOGP
0.07
MLOGP
0.13
XLogP3
-4.7
Consensus LogP
-1.5
Log S (ESOL)
-1.56
Class (ESOL)
Soluble
Log S (Ali)
-5.58
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-9.61
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)
-7.11

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