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CAS 2112737-60-5 N-(t-Boc-Aminooxy-PEG2)-N-bis(PEG3-propargyl) molecular structure lightbox
CAS RN: 2112737-60-5

N-(t-Boc-Aminooxy-PEG2)-N-bis(PEG3-propargyl)

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260503 100mg / 250mg Out of stock 15 business days Inquiry
  • Product code: SSC-100863
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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 2112737-60-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ＞95% 0 Out of Stock Beijing Inquiry

2112737-60-5 / tert-butyl N-[2-[2-[2-[bis[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethyl]amino]ethoxy]ethoxy]ethoxy]carbamate

Standard CAS: 2112737-60-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2112737-60-5
Multi CAS
No
Molecular Formula
C29H52N2O11
Molecular Weight
604.700000
Exact Mass
604.357110
SMILES
CC(C)(C)OC(=O)NOCCOCCOCCN(CCOCCOCCOCC#C)CCOCCOCCOCC#C
InChI
InChI=1S/C29H52N2O11/c1-6-11-33-16-21-38-23-18-35-13-8-31(9-14-36-19-24-39-22-17-34-12-7-2)10-15-37-20-25-40-26-27-41-30-28(32)42-29(3,4)5/h1-2H,8-27H2,3-5H3,(H,30,32)
InChIKey
WPRVFLKXCQXMJG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
42
Fraction Csp3
0.83
Rotatable bonds
30
H-bond acceptors
12
H-bond donors
1
Molar refractivity
155.98
TPSA
124.64

LogP / Solubility

WLOGP
1.14
MLOGP
1.06
XLogP3
0.1
Consensus LogP
0.77
Log S (ESOL)
-2.33
Class (ESOL)
Moderately soluble
Log S (Ali)
-5.34
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-8.14
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
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)
-5.6

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
No
Egan
Yes
Muegge
No
Bioavailability score
0.56
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4

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