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CAS 129086-10-8 Tosylate of Pentaethylene glycol monobenzyl ether molecular structure lightbox
CAS RN: 129086-10-8

Tosylate of Pentaethylene glycol monobenzyl ether

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20251031 100mg / 250mg / 1g Confirm by inquiry Shanghai 8-10 business days Inquiry
  • Product code: SSC-036278
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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 129086-10-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

129086-10-8 / 2-[2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl 4-methylbenzenesulfonate

Standard CAS: 129086-10-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
129086-10-8
Multi CAS
No
Molecular Formula
C24H34O8S
Molecular Weight
482.600000
Exact Mass
482.197439
SMILES
CC1=CC=C(C=C1)S(=O)(=O)OCCOCCOCCOCCOCCOCC2=CC=CC=C2
InChI
InChI=1S/C24H34O8S/c1-22-7-9-24(10-8-22)33(25,26)32-20-19-30-16-15-28-12-11-27-13-14-29-17-18-31-21-23-5-3-2-4-6-23/h2-10H,11-21H2,1H3
InChIKey
DKGINCKIMWNUHS-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
33
Aromatic heavy atom count
12
Fraction Csp3
0.5
Rotatable bonds
19
H-bond acceptors
8
Molar refractivity
123.69
TPSA
89.52

LogP / Solubility

WLOGP
2.98
MLOGP
2.66
XLogP3
2.3
Consensus LogP
2.65
Log S (ESOL)
-3.73
Class (ESOL)
Poorly soluble
Log S (Ali)
-5.67
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-7.55
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.55

Drug-likeness / Medicinal Chemistry

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

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