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CAS 2055042-60-7 N-(Boc-PEG3)-N-Bis-(PEG2-alcohol) molecular structure lightbox
CAS RN: 2055042-60-7

N-(Boc-PEG3)-N-Bis-(PEG2-alcohol)

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250704 100mg / 250mg Out of stock 15 business days Inquiry
  • Product code: SSC-096662
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 0.25g
  • Available purity: ＞95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 2055042-60-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ＞95% 0 Out of Stock Hong Kong Inquiry

2055042-60-7 / tert-butyl N-[2-[2-[2-[2-[bis[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]amino]ethoxy]ethoxy]ethoxy]ethyl]carbamate

Standard CAS: 2055042-60-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2055042-60-7
Multi CAS
No
Molecular Formula
C25H52N2O11
Molecular Weight
556.700000
Exact Mass
556.357110
SMILES
CC(C)(C)OC(=O)NCCOCCOCCOCCN(CCOCCOCCO)CCOCCOCCO
InChI
InChI=1S/C25H52N2O11/c1-25(2,3)38-24(30)26-4-10-31-16-22-37-23-19-34-13-7-27(5-11-32-17-20-35-14-8-28)6-12-33-18-21-36-15-9-29/h28-29H,4-23H2,1-3H3,(H,26,30)
InChIKey
SIKSABZCKNLIQZ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
38
Fraction Csp3
0.96
Rotatable bonds
28
H-bond acceptors
12
H-bond donors
3
Molar refractivity
140.58
TPSA
146.64

LogP / Solubility

WLOGP
-0.09
MLOGP
-0.03
XLogP3
-1.4
Consensus LogP
-0.51
Log S (ESOL)
-1.39
Class (ESOL)
Soluble
Log S (Ali)
-4.06
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.57
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)
-6.18

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

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