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CAS 178685-33-1 Azide-PEG3-Tos molecular structure lightbox
CAS RN: 178685-33-1

Azide-PEG3-Tos

Product Availability

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2 package records2 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260622 1g In stock Shanghai Inquiry
Batchno.20250509 5g In stock Shanghai Inquiry
  • Product code: SSC-079520
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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: 0.1g, 0.25g, 1g, 5g
  • Available purity: >95%
  • 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 178685-33-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >95% 1 In Stock Beijing Inquiry
0.25g >95% 1 In Stock Shenzhen Inquiry
1g >95% 1 In Stock Hong Kong Inquiry
5g >95% 0 Out of Stock Beijing Inquiry

178685-33-1 / 2-[2-(2-azidoethoxy)ethoxy]ethyl 4-methylbenzenesulfonate

Standard CAS: 178685-33-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
178685-33-1
Multi CAS
No
Molecular Formula
C13H19N3O5S
Molecular Weight
329.370000
Exact Mass
329.104542
SMILES
CC1=CC=C(C=C1)S(=O)(=O)OCCOCCOCCN=[N+]=[N-]
InChI
InChI=1S/C13H19N3O5S/c1-12-2-4-13(5-3-12)22(17,18)21-11-10-20-9-8-19-7-6-15-16-14/h2-5H,6-11H2,1H3
InChIKey
PTOJCKLTCKYNFG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
22
Aromatic heavy atom count
6
Fraction Csp3
0.54
Rotatable bonds
11
H-bond acceptors
6
Molar refractivity
79.97
TPSA
110.59

LogP / Solubility

WLOGP
2.04
MLOGP
1.81
XLogP3
2.2
Consensus LogP
2.02
Log S (ESOL)
-2.65
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.74
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.82
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.28

Drug-likeness / Medicinal Chemistry

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

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