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CAS 2112737-19-4 N-(Aminooxy-PEG3)-N-bis(PEG4-t-butyl ester) molecular structure lightbox
CAS RN: 2112737-19-4

N-(Aminooxy-PEG3)-N-bis(PEG4-t-butyl ester)

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250607 100mg / 250mg Out of stock 15 business days Inquiry
  • Product code: SSC-100861
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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 2112737-19-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ＞95% 0 Out of Stock Shenzhen Inquiry

2112737-19-4 / tert-butyl 3-[2-[2-[2-[2-[2-[2-[2-(2-aminooxyethoxy)ethoxy]ethoxy]ethyl-[2-[2-[2-[2-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoate

Standard CAS: 2112737-19-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2112737-19-4
Multi CAS
No
Molecular Formula
C38H76N2O16
Molecular Weight
817.000000
Exact Mass
816.519484
SMILES
CC(C)(C)OC(=O)CCOCCOCCOCCOCCN(CCOCCOCCOCCOCCC(=O)OC(C)(C)C)CCOCCOCCOCCON
InChI
InChI=1S/C38H76N2O16/c1-37(2,3)55-35(41)7-12-43-17-22-48-27-29-50-24-19-45-14-9-40(11-16-47-21-26-52-31-32-53-33-34-54-39)10-15-46-20-25-51-30-28-49-23-18-44-13-8-36(42)56-38(4,5)6/h7-34,39H2,1-6H3
InChIKey
IYGZVFXDQYOXTM-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
56
Fraction Csp3
0.95
Rotatable bonds
42
H-bond acceptors
18
H-bond donors
1
Molar refractivity
206.51
TPSA
192.62

LogP / Solubility

WLOGP
1.82
MLOGP
1.68
XLogP3
-0.6
Consensus LogP
0.97
Log S (ESOL)
-3.28
Class (ESOL)
Poorly soluble
Log S (Ali)
-7.58
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-11.53
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)
-6.41

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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