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CAS 1818294-40-4 Thiol-PEG6-t-butyl ester molecular structure lightbox
CAS RN: 1818294-40-4

Thiol-PEG6-t-butyl ester

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250410 25mg / 100mg / 250mg / 1g Out of stock 15 business days Inquiry
  • Product code: SSC-082646
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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: 0.1g, 0.25g, 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 1818294-40-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 0 Out of Stock Hong Kong Inquiry
0.25g ≥95% 0 Out of Stock Shanghai Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

1818294-40-4 / tert-butyl 3-[2-[2-[2-[2-[2-(2-sulfanylethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate

Standard CAS: 1818294-40-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1818294-40-4
Multi CAS
No
Molecular Formula
C19H38O8S
Molecular Weight
426.600000
Exact Mass
426.228739
SMILES
CC(C)(C)OC(=O)CCOCCOCCOCCOCCOCCOCCS
InChI
InChI=1S/C19H38O8S/c1-19(2,3)27-18(20)4-5-21-6-7-22-8-9-23-10-11-24-12-13-25-14-15-26-16-17-28/h28H,4-17H2,1-3H3
InChIKey
LPOFWHQVCATSPH-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
28
Fraction Csp3
0.95
Rotatable bonds
20
H-bond acceptors
9
H-bond donors
1
Molar refractivity
109.23
TPSA
81.68

LogP / Solubility

WLOGP
1.75
MLOGP
1.57
XLogP3
0.4
Consensus LogP
1.24
Log S (ESOL)
-2.27
Class (ESOL)
Moderately soluble
Log S (Ali)
-4.32
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.28
Class (SILICOS-IT)
Insoluble

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)
-4.08

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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