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CAS 2170987-96-7 H2N-PEG24-CH2CH2COOtBu molecular structure lightbox
CAS RN: 2170987-96-7

H2N-PEG24-CH2CH2COOtBu

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250524 25mg / 100mg / 250mg / 1g Confirm by inquiry Shanghai, Shandong, Chongqing Inquiry
  • Product code: SSC-104563
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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: 0.1g, 0.25g, 1g
  • 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 2170987-96-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 0 Out of Stock Beijing Inquiry
0.25g ≥95% 0 Out of Stock Beijing Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

2170987-96-7 / tert-butyl 3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate

Standard CAS: 2170987-96-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2170987-96-7
Multi CAS
No
Molecular Formula
C55H111NO26
Molecular Weight
1202.500000
Exact Mass
1201.739433
SMILES
CC(C)(C)OC(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCN
InChI
InChI=1S/C55H111NO26/c1-55(2,3)82-54(57)4-6-58-8-10-60-12-14-62-16-18-64-20-22-66-24-26-68-28-30-70-32-34-72-36-38-74-40-42-76-44-46-78-48-50-80-52-53-81-51-49-79-47-45-77-43-41-75-39-37-73-35-33-71-31-29-69-27-25-67-23-21-65-19-17-63-15-13-61-11-9-59-7-5-56/h4-53,56H2,1-3H3
InChIKey
LWHDVGRAEHWWFV-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
82
Fraction Csp3
0.98
Rotatable bonds
74
H-bond acceptors
27
H-bond donors
1
Molar refractivity
299.17
TPSA
273.84

LogP / Solubility

WLOGP
1.08
MLOGP
1.07
XLogP3
-3.4
Consensus LogP
-0.42
Log S (ESOL)
-3.09
Class (ESOL)
Poorly soluble
Log S (Ali)
-10.2
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-17.25
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
No
Log Kp (skin permeation)
-9.29

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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