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CAS 1291090-31-7 I-PEG4-t-Butyl ester molecular structure lightbox
CAS RN: 1291090-31-7

I-PEG4-t-Butyl ester

Product Availability

Choose a grade to view its available package options.

6 package records5 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250406 100mg In stock Shanghai Inquiry
Batchno.20260204 10g In stock Shanghai Inquiry
Batchno.20251017 1g In stock Shanghai Inquiry
Batchno.20251115 250mg In stock Shanghai Inquiry
Batchno.20250724 250mg / 1g / 5g Out of stock 5-7 business days Inquiry
Batchno.20260612 5g In stock Shanghai Inquiry
  • Product code: SSC-036293
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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 1291090-31-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

1291090-31-7 / tert-butyl 3-[2-[2-[2-(2-iodoethoxy)ethoxy]ethoxy]ethoxy]propanoate

Standard CAS: 1291090-31-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1291090-31-7
Multi CAS
No
Molecular Formula
C15H29IO6
Molecular Weight
432.290000
Exact Mass
432.100890
SMILES
CC(C)(C)OC(=O)CCOCCOCCOCCOCCI
InChI
InChI=1S/C15H29IO6/c1-15(2,3)22-14(17)4-6-18-8-10-20-12-13-21-11-9-19-7-5-16/h4-13H2,1-3H3
InChIKey
DDPBZNSGUXPBOY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
22
Fraction Csp3
0.93
Rotatable bonds
14
H-bond acceptors
6
Molar refractivity
92.63
TPSA
63.22

LogP / Solubility

WLOGP
2.22
MLOGP
1.98
XLogP3
1.5
Consensus LogP
1.9
Log S (ESOL)
-2.99
Class (ESOL)
Moderately soluble
Log S (Ali)
-4.71
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.99
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)
-3.78

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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