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CAS 2100306-71-4 Bromo-PEG3-CH2CO2tBu molecular structure lightbox
CAS RN: 2100306-71-4

Bromo-PEG3-CH2CO2tBu

Product Availability

Choose a grade to view its available package options.

6 package records6 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260422 100mg In stock Shanghai, Wuhan Inquiry
Batchno.20250726 10g In stock Shanghai Inquiry
Batchno.20260612 1g In stock Shanghai, Tianjin Inquiry
Batchno.20250425 250mg In stock Shanghai Inquiry
Batchno.20250922 25g In stock Shanghai Inquiry
Batchno.20251206 5g In stock Shanghai, Shenzhen Inquiry
  • Product code: SSC-099877
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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: 1g, 0.1g, 0.25g, 5g
  • Available purity: >95%
  • Inventory rows with stock: 4
  • 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 2100306-71-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >95% 5 In Stock Shenzhen Inquiry
0.1g >95% 2 In Stock Shanghai Inquiry
0.25g >95% 2 In Stock Hong Kong Inquiry
5g >95% 1 In Stock Shanghai Inquiry

2100306-71-4 / tert-butyl 2-[2-[2-(2-bromoethoxy)ethoxy]ethoxy]acetate

Standard CAS: 2100306-71-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2100306-71-4
Multi CAS
No
Molecular Formula
C12H23BrO5
Molecular Weight
327.210000
Exact Mass
326.072890
SMILES
CC(C)(C)OC(=O)COCCOCCOCCBr
InChI
InChI=1S/C12H23BrO5/c1-12(2,3)18-11(14)10-17-9-8-16-7-6-15-5-4-13/h4-10H2,1-3H3
InChIKey
WDLOTPAWUBQPND-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Fraction Csp3
0.92
Rotatable bonds
10
H-bond acceptors
5
Molar refractivity
72.1
TPSA
53.99

LogP / Solubility

WLOGP
1.77
MLOGP
1.58
XLogP3
1.4
Consensus LogP
1.58
Log S (ESOL)
-2.33
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.52
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.46
Class (SILICOS-IT)
Slightly 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)
-3.46

Drug-likeness / Medicinal Chemistry

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

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