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CAS 2100306-82-7 Aminooxy-PEG4-t-butyl ester molecular structure lightbox
CAS RN: 2100306-82-7

Aminooxy-PEG4-t-butyl ester

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260526 1g Out of stock 15 business days Inquiry
  • Product code: SSC-099882
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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 2100306-82-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ＞95% 0 Out of Stock Shenzhen Inquiry

2100306-82-7 / tert-butyl 3-[2-[2-[2-(2-aminooxyethoxy)ethoxy]ethoxy]ethoxy]propanoate

Standard CAS: 2100306-82-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2100306-82-7
Multi CAS
No
Molecular Formula
C15H31NO7
Molecular Weight
337.410000
Exact Mass
337.210052
SMILES
CC(C)(C)OC(=O)CCOCCOCCOCCOCCON
InChI
InChI=1S/C15H31NO7/c1-15(2,3)23-14(17)4-5-18-6-7-19-8-9-20-10-11-21-12-13-22-16/h4-13,16H2,1-3H3
InChIKey
YTAYURBTLQKIKL-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
23
Fraction Csp3
0.93
Rotatable bonds
15
H-bond acceptors
8
H-bond donors
1
Molar refractivity
83.88
TPSA
98.47

LogP / Solubility

WLOGP
0.67
MLOGP
0.61
XLogP3
-0.5
Consensus LogP
0.26
Log S (ESOL)
-1.37
Class (ESOL)
Soluble
Log S (Ali)
-2.81
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-4.21
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)
-4.3

Drug-likeness / Medicinal Chemistry

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

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