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CAS 2055013-52-8 Tri(Amino-PEG5-amide)-amine TFA salt molecular structure lightbox
CAS RN: 2055013-52-8

Tri(Amino-PEG5-amide)-amine TFA salt

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250703 250mg Out of stock 15 business days Inquiry
  • Product code: SSC-096635
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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 2055013-52-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Shanghai Inquiry

2055013-52-8 / 3-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-N-[2-[bis[2-[3-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]ethyl]amino]ethyl]propanamide

Standard CAS: 2055013-52-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2055013-52-8
Multi CAS
No
Molecular Formula
C45H93N7O18
Molecular Weight
1020.300000
Exact Mass
1019.657709
SMILES
C(COCCOCCOCCOCCOCCN)C(=O)NCCN(CCNC(=O)CCOCCOCCOCCOCCOCCN)CCNC(=O)CCOCCOCCOCCOCCOCCN
InChI
InChI=1S/C45H93N7O18/c46-4-16-59-22-28-65-34-40-68-37-31-62-25-19-56-13-1-43(53)49-7-10-52(11-8-50-44(54)2-14-57-20-26-63-32-38-69-41-35-66-29-23-60-17-5-47)12-9-51-45(55)3-15-58-21-27-64-33-39-70-42-36-67-30-24-61-18-6-48/h1-42,46-48H2,(H,49,53)(H,50,54)(H,51,55)
InChIKey
CMUGXZWNMJJZQZ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
70
Fraction Csp3
0.93
Rotatable bonds
60
H-bond acceptors
22
H-bond donors
6
Molar refractivity
258.77
TPSA
307.05

LogP / Solubility

WLOGP
-3.07
MLOGP
-2.6
XLogP3
-7
Consensus LogP
-4.22
Log S (ESOL)
-0.27
Class (ESOL)
Very soluble
Log S (Ali)
-5.71
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-10.95
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)
-11.12

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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