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CAS 1330059-91-0 Benzyl-PEG8-MS molecular structure lightbox
CAS RN: 1330059-91-0

Benzyl-PEG8-MS

  • Product code: SSC-039679
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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 1330059-91-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 0 Out of Stock Shanghai Inquiry
0.25g ≥95% 0 Out of Stock Shenzhen Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

1330059-91-0 / 2-[2-[2-[2-[2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl methanesulfonate

Standard CAS: 1330059-91-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1330059-91-0
Multi CAS
No
Molecular Formula
C24H42O11S
Molecular Weight
538.700000
Exact Mass
538.244783
SMILES
CS(=O)(=O)OCCOCCOCCOCCOCCOCCOCCOCCOCC1=CC=CC=C1
InChI
InChI=1S/C24H42O11S/c1-36(25,26)35-22-21-33-18-17-31-14-13-29-10-9-27-7-8-28-11-12-30-15-16-32-19-20-34-23-24-5-3-2-4-6-24/h2-6H,7-23H2,1H3
InChIKey
HXGZBARQPKDPSS-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
36
Aromatic heavy atom count
6
Fraction Csp3
0.75
Rotatable bonds
27
H-bond acceptors
11
Molar refractivity
132.63
TPSA
117.21

LogP / Solubility

WLOGP
1.3
MLOGP
1.18
Consensus LogP
0.83
Log S (ESOL)
-2.34
Class (ESOL)
Moderately soluble
Log S (Ali)
-4.91
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-7.48
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)
-5.09

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
No
Egan
Yes
Muegge
No
Bioavailability score
0.56
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4

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