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CAS 2253965-01-2 Boc-aminooxy-amide-PEG4-propargyl molecular structure lightbox
CAS RN: 2253965-01-2

Boc-aminooxy-amide-PEG4-propargyl

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250228 100mg Out of stock 8-10 business days Inquiry
  • Product code: SSC-110251
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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 2253965-01-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ＞95% 0 Out of Stock Beijing Inquiry

2253965-01-2 / tert-butyl N-[2-oxo-2-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethylamino]ethoxy]carbamate

Standard CAS: 2253965-01-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2253965-01-2
Multi CAS
No
Molecular Formula
C18H32N2O8
Molecular Weight
404.500000
Exact Mass
404.215866
SMILES
CC(C)(C)OC(=O)NOCC(=O)NCCOCCOCCOCCOCC#C
InChI
InChI=1S/C18H32N2O8/c1-5-7-23-9-11-25-13-14-26-12-10-24-8-6-19-16(21)15-27-20-17(22)28-18(2,3)4/h1H,6-15H2,2-4H3,(H,19,21)(H,20,22)
InChIKey
XDRDVAXJEVQKKC-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
28
Fraction Csp3
0.78
Rotatable bonds
16
H-bond acceptors
8
H-bond donors
2
Molar refractivity
100.44
TPSA
113.58

LogP / Solubility

WLOGP
0.26
MLOGP
0.25
XLogP3
-0.2
Consensus LogP
0.1
Log S (ESOL)
-1.45
Class (ESOL)
Soluble
Log S (Ali)
-3.06
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.42
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-5

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
No
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

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