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CAS 57436-38-1 Octaethylene glycol di(p-toluenesulfonate) molecular structure lightbox
CAS RN: 57436-38-1

Octaethylene glycol di(p-toluenesulfonate)

Product Availability

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3 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250530 1g In stock Shanghai Inquiry
Batchno.20260306 250mg In stock Shanghai Inquiry
Batchno.20251020 5g In stock Shanghai Inquiry
  • Product code: SSC-165583
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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 57436-38-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

57436-38-1 / 2-[2-[2-[2-[2-[2-[2-[2-(4-methylphenyl)sulfonyloxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 4-methylbenzenesulfonate

Standard CAS: 57436-38-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
57436-38-1
Multi CAS
Yes
Molecular Formula
C30H46O13S2
Molecular Weight
678.800000
Exact Mass
678.237984
InChI
InChI=1S/C30H46O13S2/c1-27-3-7-29(8-4-27)44(31,32)42-25-23-40-21-19-38-17-15-36-13-11-35-12-14-37-16-18-39-20-22-41-24-26-43-45(33,34)30-9-5-28(2)6-10-30/h3-10H,11-26H2,1-2H3
InChIKey
QYYVGRJXXOLFKL-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
45
Aromatic heavy atom count
12
Fraction Csp3
0.6
Rotatable bonds
28
H-bond acceptors
13
Molar refractivity
164.37
TPSA
151.35

LogP / Solubility

WLOGP
2.53
MLOGP
2.28
XLogP3
1.9
Consensus LogP
2.24
Log S (ESOL)
-3.99
Class (ESOL)
Poorly soluble
Log S (Ali)
-6.95
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.53
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-5.06

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4

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