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CAS 2055041-19-3 Azido-PEG3-S-PEG4-t-butyl ester molecular structure lightbox
CAS RN: 2055041-19-3

Azido-PEG3-S-PEG4-t-butyl ester

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250219 100mg Out of stock 15 business days Inquiry
  • Product code: SSC-096658
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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: 1g
  • Available purity: ≥97%
  • 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 2055041-19-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥97% 0 Out of Stock Shanghai Inquiry

2055041-19-3 / tert-butyl 3-[2-[2-[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethylsulfanyl]ethoxy]ethoxy]ethoxy]ethoxy]propanoate

Standard CAS: 2055041-19-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2055041-19-3
Multi CAS
No
Molecular Formula
C23H45N3O9S
Molecular Weight
539.700000
Exact Mass
539.287651
SMILES
CC(C)(C)OC(=O)CCOCCOCCOCCOCCSCCOCCOCCOCCN=[N+]=[N-]
InChI
InChI=1S/C23H45N3O9S/c1-23(2,3)35-22(27)4-6-28-8-10-30-12-13-32-15-17-34-19-21-36-20-18-33-16-14-31-11-9-29-7-5-25-26-24/h4-21H2,1-3H3
InChIKey
UPJKMGHIPNYNEY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
36
Fraction Csp3
0.96
Rotatable bonds
27
H-bond acceptors
11
Molar refractivity
137.53
TPSA
139.67

LogP / Solubility

WLOGP
2.88
MLOGP
2.57
XLogP3
1.6
Consensus LogP
2.35
Log S (ESOL)
-3.22
Class (ESOL)
Poorly soluble
Log S (Ali)
-6.06
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.8
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
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.97

Drug-likeness / Medicinal Chemistry

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

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