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CAS 2112732-01-9 N-(Propargyl-PEG4-carbonyl)-N-bis(PEG1-methyl ester) molecular structure lightbox
CAS RN: 2112732-01-9

N-(Propargyl-PEG4-carbonyl)-N-bis(PEG1-methyl ester)

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260615 100mg / 250mg Out of stock 15 business days Inquiry
  • Product code: SSC-100858
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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: 0.25g
  • Available purity: ＞95%
  • 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 2112732-01-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ＞95% 0 Out of Stock Hong Kong Inquiry

2112732-01-9 / methyl 3-[2-[2-(3-methoxy-3-oxopropoxy)ethyl-[3-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]propanoyl]amino]ethoxy]propanoate

Standard CAS: 2112732-01-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2112732-01-9
Multi CAS
No
Molecular Formula
C24H41NO11
Molecular Weight
519.600000
Exact Mass
519.267961
SMILES
COC(=O)CCOCCN(CCOCCC(=O)OC)C(=O)CCOCCOCCOCCOCC#C
InChI
InChI=1S/C24H41NO11/c1-4-10-31-16-18-35-20-21-36-19-17-34-11-5-22(26)25(8-14-32-12-6-23(27)29-2)9-15-33-13-7-24(28)30-3/h1H,5-21H2,2-3H3
InChIKey
JCIALVYXFZVDJH-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
36
Fraction Csp3
0.79
Rotatable bonds
25
H-bond acceptors
11
Molar refractivity
128.21
TPSA
128.29

LogP / Solubility

WLOGP
0.06
MLOGP
0.09
XLogP3
-1.5
Consensus LogP
-0.45
Log S (ESOL)
-1.45
Class (ESOL)
Soluble
Log S (Ali)
-3.87
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-6.09
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)
-5.84

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
No
Egan
Yes
Muegge
No
Bioavailability score
0.56
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4

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