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CAS 1108750-59-9 Azido-PEG12-NHS ester molecular structure lightbox
CAS RN: 1108750-59-9

Azido-PEG12-NHS ester

  • Product code: SSC-011814
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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 1108750-59-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Shenzhen Inquiry

1108750-59-9 / (2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate

(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate | (2,5-Dioxopyrrolidin-1-yl) 3-(2-(2-(2-(2-(2-(2-(2-(2-(2-(2-(2-(2-azidoethoxy)ethoxy)ethoxy)ethoxy)ethoxy)ethoxy)ethoxy)ethoxy)ethoxy)ethoxy)ethoxy)ethoxy)propanoate | RefChem:394649

Standard CAS: 1108750-59-9 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1108750-59-9
Multi CAS
Yes
Molecular Formula
C31H56N4O16
Molecular Weight
740.800000
Exact Mass
740.369132
SMILES
C1CC(=O)N(C1=O)OC(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCN=[N+]=[N-]
InChI
InChI=1S/C31H56N4O16/c32-34-33-4-6-40-8-10-42-12-14-44-16-18-46-20-22-48-24-26-50-28-27-49-25-23-47-21-19-45-17-15-43-13-11-41-9-7-39-5-3-31(38)51-35-29(36)1-2-30(35)37/h1-28H2
InChIKey
JSNJRDFOCXNHTB-UHFFFAOYSA-N
Synonyms
(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate (2,5-Dioxopyrrolidin-1-yl) 3-(2-(2-(2-(2-(2-(2-(2-(2-(2-(2-(2-(2-azidoethoxy)ethoxy)ethoxy)ethoxy)ethoxy)ethoxy)ethoxy)ethoxy)ethoxy)ethoxy)ethoxy)ethoxy)propanoate RefChem:394649 874-391-9 Azido-PEG12-NHS ester

Computed Properties

Structural Parameters

Heavy atom count
51
Fraction Csp3
0.9
Rotatable bonds
40
H-bond acceptors
17
Molar refractivity
175.64
TPSA
223.2

LogP / Solubility

WLOGP
0.49
MLOGP
0.5
XLogP3
-1.7
Consensus LogP
-0.24
Log S (ESOL)
-2.1
Class (ESOL)
Moderately soluble
Log S (Ali)
-5.99
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-9.68
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-6.89

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

Safety & Transport

GHS Hazard Statements
Not Classified Reported as not meeting GHS hazard criteria by 1 of 1 companies. For more detailed information, please visit ECHA C&L website.

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