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CAS 2112731-50-5 t-boc-N-amido-PEG9-azide molecular structure lightbox
CAS RN: 2112731-50-5

t-boc-N-amido-PEG9-azide

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251006 100mg Out of stock 15 business days Inquiry
  • Product code: SSC-100855
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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
  • 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 2112731-50-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 0 Out of Stock Hong Kong Inquiry

2112731-50-5 / tert-butyl N-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate

Standard CAS: 2112731-50-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2112731-50-5
Multi CAS
No
Molecular Formula
C25H50N4O11
Molecular Weight
582.700000
Exact Mass
582.347608
SMILES
CC(C)(C)OC(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCOCCN=[N+]=[N-]
InChI
InChI=1S/C25H50N4O11/c1-25(2,3)40-24(30)27-4-6-31-8-10-33-12-14-35-16-18-37-20-22-39-23-21-38-19-17-36-15-13-34-11-9-32-7-5-28-29-26/h4-23H2,1-3H3,(H,27,30)
InChIKey
CKIKYHBSXHEGSA-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
40
Fraction Csp3
0.96
Rotatable bonds
30
H-bond acceptors
12
H-bond donors
1
Molar refractivity
145.62
TPSA
170.16

LogP / Solubility

WLOGP
1.97
MLOGP
1.78
XLogP3
0.5
Consensus LogP
1.42
Log S (ESOL)
-2.71
Class (ESOL)
Moderately soluble
Log S (Ali)
-5.76
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-8.68
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.88

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

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