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CAS 2222566-55-2 Boc-NH-PEG15-NH2 molecular structure lightbox
CAS RN: 2222566-55-2

Boc-NH-PEG15-NH2

  • Product code: SSC-106884
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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: 1g
  • Available purity: ＞97%
  • 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 2222566-55-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shenzhen Inquiry

2222566-55-2 / tert-butyl N-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate

Standard CAS: 2222566-55-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2222566-55-2
Multi CAS
No
Molecular Formula
C37H76N2O17
Molecular Weight
821.000000
Exact Mass
820.514399
SMILES
CC(C)(C)OC(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCN
InChI
InChI=1S/C37H76N2O17/c1-37(2,3)56-36(40)39-5-7-42-9-11-44-13-15-46-17-19-48-21-23-50-25-27-52-29-31-54-33-35-55-34-32-53-30-28-51-26-24-49-22-20-47-18-16-45-14-12-43-10-8-41-6-4-38/h4-35,38H2,1-3H3,(H,39,40)
InChIKey
RTWNWTAZZLCVOD-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
56
Fraction Csp3
0.97
Rotatable bonds
47
H-bond acceptors
18
H-bond donors
2
Molar refractivity
205.58
TPSA
202.8

LogP / Solubility

WLOGP
0.72
MLOGP
0.71
XLogP3
-2.2
Consensus LogP
-0.26
Log S (ESOL)
-2.28
Class (ESOL)
Moderately soluble
Log S (Ali)
-6.81
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-11.23
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)
-7.22

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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