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CAS 1818294-29-9 Propargyl-PEG7-t-butyl ester molecular structure lightbox
CAS RN: 1818294-29-9

Propargyl-PEG7-t-butyl ester

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250726 100mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: SSC-082641
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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
  • Available purity: >97%
  • 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 1818294-29-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >97% 5 In Stock Shanghai Inquiry
0.25g >97% 5 In Stock Shenzhen Inquiry
1g >97% 5 In Stock Beijing Inquiry

1818294-29-9 / tert-butyl 3-[2-[2-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate

Standard CAS: 1818294-29-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1818294-29-9
Multi CAS
No
Molecular Formula
C22H40O9
Molecular Weight
448.500000
Exact Mass
448.267233
SMILES
CC(C)(C)OC(=O)CCOCCOCCOCCOCCOCCOCCOCC#C
InChI
InChI=1S/C22H40O9/c1-5-7-24-9-11-26-13-15-28-17-19-30-20-18-29-16-14-27-12-10-25-8-6-21(23)31-22(2,3)4/h1H,6-20H2,2-4H3
InChIKey
ZYHHJKFUMHBJSI-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
31
Fraction Csp3
0.86
Rotatable bonds
22
H-bond acceptors
9
Molar refractivity
115.03
TPSA
90.91

LogP / Solubility

WLOGP
1.47
MLOGP
1.32
XLogP3
0.1
Consensus LogP
0.96
Log S (ESOL)
-2.09
Class (ESOL)
Moderately soluble
Log S (Ali)
-4.3
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.43
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)
-4.41

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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