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CAS 2100306-53-2 Bis-PEG4-t-butyl ester molecular structure lightbox
CAS RN: 2100306-53-2

Bis-PEG4-t-butyl ester

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260605 1g Out of stock 15 business days Inquiry
  • Product code: SSC-099871
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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: >97%
  • Inventory rows with stock: 6
  • 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 2100306-53-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g -- 1 In Stock Beijing Inquiry
0.25g >97% 1 In Stock Hong Kong Inquiry
1g -- 1 In Stock Beijing Inquiry
1g >97% 1 In Stock Shenzhen Inquiry
5g -- 1 In Stock Beijing Inquiry
5g >97% 1 In Stock Shanghai Inquiry

2100306-53-2 / tert-butyl 3-[2-[2-[2-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]propanoate

Standard CAS: 2100306-53-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2100306-53-2
Multi CAS
No
Molecular Formula
C20H38O8
Molecular Weight
406.500000
Exact Mass
406.256668
SMILES
CC(C)(C)OC(=O)CCOCCOCCOCCOCCC(=O)OC(C)(C)C
InChI
InChI=1S/C20H38O8/c1-19(2,3)27-17(21)7-9-23-11-13-25-15-16-26-14-12-24-10-8-18(22)28-20(4,5)6/h7-16H2,1-6H3
InChIKey
BEMRKFMWPQHBBR-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
28
Fraction Csp3
0.9
Rotatable bonds
15
H-bond acceptors
8
Molar refractivity
104.2
TPSA
89.52

LogP / Solubility

WLOGP
2.52
MLOGP
2.24
XLogP3
1.3
Consensus LogP
2.02
Log S (ESOL)
-2.96
Class (ESOL)
Moderately soluble
Log S (Ali)
-4.71
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.19
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
Yes
Log Kp (skin permeation)
-3.41

Drug-likeness / Medicinal Chemistry

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

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