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CAS 581065-94-3 tert-Butyl 1-(Tosyloxy)-3,6,9,12-tetraoxapentadecan-15-oate molecular structure lightbox
CAS RN: 581065-94-3

tert-Butyl 1-(Tosyloxy)-3,6,9,12-tetraoxapentadecan-15-oate

Product Availability

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4 package records4 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20250824 100mg In stock Inquiry
Batchno.20260104 1g In stock Inquiry
Batchno.20260406 250mg In stock Inquiry
Batchno.20250615 5g In stock Inquiry
  • Product code: SSC-166330
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 0.25g, 1g, 5g
  • Available purity: >98%
  • Inventory rows with stock: 3
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 581065-94-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g >98% 2 In Stock Beijing Inquiry
1g >98% 2 In Stock Shenzhen Inquiry
5g >98% 2 In Stock Shanghai Inquiry

581065-94-3 / tert-butyl 3-[2-[2-[2-[2-(4-methylphenyl)sulfonyloxyethoxy]ethoxy]ethoxy]ethoxy]propanoate

Standard CAS: 581065-94-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
581065-94-3
Multi CAS
No
Molecular Formula
C22H36O9S
Molecular Weight
476.600000
Exact Mass
476.208004
InChI
InChI=1S/C22H36O9S/c1-19-5-7-20(8-6-19)32(24,25)30-18-17-29-16-15-28-14-13-27-12-11-26-10-9-21(23)31-22(2,3)4/h5-8H,9-18H2,1-4H3
InChIKey
GGGJGMGLGUHUMW-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
32
Aromatic heavy atom count
6
Fraction Csp3
0.68
Rotatable bonds
17
H-bond acceptors
9
Molar refractivity
118.05
TPSA
106.59

LogP / Solubility

WLOGP
2.5
MLOGP
2.23
XLogP3
1.8
Consensus LogP
2.18
Log S (ESOL)
-3.39
Class (ESOL)
Poorly soluble
Log S (Ali)
-5.27
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.87
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)
-3.85

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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