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CAS 1415800-38-2 Bromo-PEG5-t-butyl ester molecular structure lightbox
CAS RN: 1415800-38-2

Bromo-PEG5-t-butyl ester

  • Product code: SSC-051932
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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: ≥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 1415800-38-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

1415800-38-2 / tert-butyl 3-[2-[2-[2-[2-(2-bromoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]propanoate

Standard CAS: 1415800-38-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1415800-38-2
Multi CAS
No
Molecular Formula
C17H33BrO7
Molecular Weight
429.300000
Exact Mass
428.140970
SMILES
CC(C)(C)OC(=O)CCOCCOCCOCCOCCOCCBr
InChI
InChI=1S/C17H33BrO7/c1-17(2,3)25-16(19)4-6-20-8-10-22-12-14-24-15-13-23-11-9-21-7-5-18/h4-15H2,1-3H3
InChIKey
CFAPOEDUPYZKFH-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
25
Fraction Csp3
0.94
Rotatable bonds
17
H-bond acceptors
7
Molar refractivity
98.35
TPSA
72.45

LogP / Solubility

WLOGP
2.2
MLOGP
1.96
XLogP3
1.1
Consensus LogP
1.75
Log S (ESOL)
-2.76
Class (ESOL)
Moderately soluble
Log S (Ali)
-4.67
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.31
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.78

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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