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CAS 132684-09-4 COOTBU-PEG5-COOTBU molecular structure lightbox
CAS RN: 132684-09-4

COOTBU-PEG5-COOTBU

  • Product code: SSC-039500
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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: 5g
  • 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 132684-09-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Beijing Inquiry

132684-09-4 / tert-butyl 2-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]ethoxy]ethoxy]ethoxy]acetate

Standard CAS: 132684-09-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
132684-09-4
Multi CAS
No
Molecular Formula
C18H34O8
Molecular Weight
378.500000
Exact Mass
378.225368
SMILES
CC(C)(C)OC(=O)COCCOCCOCCOCC(=O)OC(C)(C)C
InChI
InChI=1S/C18H34O8/c1-17(2,3)25-15(19)13-23-11-9-21-7-8-22-10-12-24-14-16(20)26-18(4,5)6/h7-14H2,1-6H3
InChIKey
DBHQFWUGVSIQFO-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
26
Fraction Csp3
0.89
Rotatable bonds
13
H-bond acceptors
8
Molar refractivity
94.97
TPSA
89.52

LogP / Solubility

WLOGP
1.74
MLOGP
1.55
XLogP3
1.4
Consensus LogP
1.56
Log S (ESOL)
-2.42
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.92
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-5.12
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)
-3.8

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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