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CAS 2413368-61-1 3,6,9,12,15,18,21,24,27,30,33,36-Dodecaoxaheptatriacontane-1-thiol molecular structure lightbox
CAS RN: 2413368-61-1

3,6,9,12,15,18,21,24,27,30,33,36-Dodecaoxaheptatriacontane-1-thiol

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251004 1g Out of stock 15 business days Inquiry
  • Product code: SSC-117738
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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 2413368-61-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

2413368-61-1 / 2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanethiol

Standard CAS: 2413368-61-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2413368-61-1
Multi CAS
No
Molecular Formula
C25H52O12S
Molecular Weight
576.700000
Exact Mass
576.317948
SMILES
COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCS
InChI
InChI=1S/C25H52O12S/c1-26-2-3-27-4-5-28-6-7-29-8-9-30-10-11-31-12-13-32-14-15-33-16-17-34-18-19-35-20-21-36-22-23-37-24-25-38/h38H,2-25H2,1H3
InChIKey
MXDXXEVQFMVAIA-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
38
Fraction Csp3
1
Rotatable bonds
35
H-bond acceptors
13
H-bond donors
1
Molar refractivity
144.74
TPSA
110.76

LogP / Solubility

WLOGP
0.75
MLOGP
0.7
XLogP3
-1.3
Consensus LogP
0.05
Log S (ESOL)
-1.58
Class (ESOL)
Soluble
Log S (Ali)
-4.83
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-8.23
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)
-5.71

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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