[email protected]
CAS 2055042-61-8 N-(Boc-PEG3)-N-Bis-(PEG3-acid) molecular structure lightbox
CAS RN: 2055042-61-8

N-(Boc-PEG3)-N-Bis-(PEG3-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.20260228 250mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS2055042-61-8
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

2055042-61-8 / 3-[2-[2-[2-[2-[2-[2-(2-carboxyethoxy)ethoxy]ethoxy]ethyl-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]ethoxy]ethyl]amino]ethoxy]ethoxy]ethoxy]propanoic acid

Standard CAS: 2055042-61-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2055042-61-8
Multi CAS
No
Molecular Formula
C31H60N2O15
Molecular Weight
700.800000
Exact Mass
700.399369
SMILES
CC(C)(C)OC(=O)NCCOCCOCCOCCN(CCOCCOCCOCCC(=O)O)CCOCCOCCOCCC(=O)O
InChI
InChI=1S/C31H60N2O15/c1-31(2,3)48-30(38)32-6-12-41-18-24-47-27-21-44-15-9-33(7-13-42-19-25-45-22-16-39-10-4-28(34)35)8-14-43-20-26-46-23-17-40-11-5-29(36)37/h4-27H2,1-3H3,(H,32,38)(H,34,35)(H,36,37)
InChIKey
CNGLOOLAOPWBOS-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
48
Fraction Csp3
0.9
Rotatable bonds
36
H-bond acceptors
14
H-bond donors
3
Molar refractivity
172.55
TPSA
199.24

LogP / Solubility

WLOGP
0.91
MLOGP
0.86
XLogP3
-3.6
Consensus LogP
-0.61
Log S (ESOL)
-2.38
Class (ESOL)
Moderately soluble
Log S (Ali)
-5.97
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-9.29
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-6.35

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