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CAS 1611468-28-0 BIS-PEG2-T-BUTYL ESTER molecular structure lightbox
CAS RN: 1611468-28-0

BIS-PEG2-T-BUTYL ESTER

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260209 1g Out of stock 15 business days Inquiry
  • Product code: SSC-068870
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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 1611468-28-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

1611468-28-0 / tert-butyl 3-[2-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropoxy]ethoxy]propanoate

Standard CAS: 1611468-28-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1611468-28-0
Multi CAS
No
Molecular Formula
C16H30O6
Molecular Weight
318.410000
Exact Mass
318.204239
SMILES
CC(C)(C)OC(=O)CCOCCOCCC(=O)OC(C)(C)C
InChI
InChI=1S/C16H30O6/c1-15(2,3)21-13(17)7-9-19-11-12-20-10-8-14(18)22-16(4,5)6/h7-12H2,1-6H3
InChIKey
ALKAASHAFVQEJO-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
22
Fraction Csp3
0.88
Rotatable bonds
9
H-bond acceptors
6
Molar refractivity
82.56
TPSA
71.06

LogP / Solubility

WLOGP
2.48
MLOGP
2.2
XLogP3
1.5
Consensus LogP
2.06
Log S (ESOL)
-2.78
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.96
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.87
Class (SILICOS-IT)
Slightly soluble

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)
-2.9

Drug-likeness / Medicinal Chemistry

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

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