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CAS 1119249-30-7 Propargyl-PEG3-Tos molecular structure lightbox
CAS RN: 1119249-30-7

Propargyl-PEG3-Tos

Product Availability

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7 package records6 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250810 100g In stock Shanghai Inquiry
Batchno.20251022 100mg In stock Shanghai, Shenzhen, Wuhan, Chengdu Inquiry
Batchno.20250213 1g In stock Shanghai Inquiry
Batchno.20250108 250mg In stock Shanghai, Shenzhen, Tianjin Inquiry
Batchno.20250303 25g In stock Shanghai Inquiry
Batchno.20250630 5g In stock Shanghai, Tianjin Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260315 100mg / 250mg / 1g / 5g / 25g Out of stock 15 business days Inquiry
  • Product code: SSC-012395
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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: ＞97%
  • 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 1119249-30-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shanghai Inquiry

1119249-30-7 / 2-(2-prop-2-ynoxyethoxy)ethyl 4-methylbenzenesulfonate

Tos-PEG2-O-Propargyl | Propargyl-PEG3-Tos | 2-(2-(Prop-2-yn-1-yloxy)ethoxy)ethyl 4-methylbenzenesulfonate

Standard CAS: 1119249-30-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1119249-30-7
Multi CAS
No
Molecular Formula
C14H18O5S
Molecular Weight
298.360000
Exact Mass
298.087495
SMILES
CC1=CC=C(C=C1)S(=O)(=O)OCCOCCOCC#C
InChI
InChI=1S/C14H18O5S/c1-3-8-17-9-10-18-11-12-19-20(15,16)14-6-4-13(2)5-7-14/h1,4-7H,8-12H2,2H3
InChIKey
XOLBARIQCXNLPS-UHFFFAOYSA-N
Synonyms
Tos-PEG2-O-Propargyl Propargyl-PEG3-Tos 2-(2-(Prop-2-yn-1-yloxy)ethoxy)ethyl 4-methylbenzenesulfonate MFCD20134051 2-(2-prop-2-ynoxyethoxy)ethyl 4-methylbenzenesulfonate

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
6
Fraction Csp3
0.43
Rotatable bonds
9
H-bond acceptors
5
Molar refractivity
74.79
TPSA
61.83

LogP / Solubility

WLOGP
1.37
MLOGP
1.21
XLogP3
1.3
Consensus LogP
1.29
Log S (ESOL)
-2.18
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.99
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.81
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.57

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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