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CAS 2055014-77-0 N-Me-N-(PEG4-acid)2 molecular structure lightbox
CAS RN: 2055014-77-0

N-Me-N-(PEG4-acid)2

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250724 1g Out of stock 15 business days Inquiry
  • Product code: SSC-096640
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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 2055014-77-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ＞95% 0 Out of Stock Beijing Inquiry

2055014-77-0 / 3-[2-[2-[2-[2-[2-[2-[2-[2-(2-carboxyethoxy)ethoxy]ethoxy]ethoxy]ethyl-methylamino]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid

Standard CAS: 2055014-77-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2055014-77-0
Multi CAS
No
Molecular Formula
C23H45NO12
Molecular Weight
527.600000
Exact Mass
527.294176
SMILES
CN(CCOCCOCCOCCOCCC(=O)O)CCOCCOCCOCCOCCC(=O)O
InChI
InChI=1S/C23H45NO12/c1-24(4-8-31-12-16-35-20-18-33-14-10-29-6-2-22(25)26)5-9-32-13-17-36-21-19-34-15-11-30-7-3-23(27)28/h2-21H2,1H3,(H,25,26)(H,27,28)
InChIKey
GVLKSZBFWWZTQF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
36
Fraction Csp3
0.91
Rotatable bonds
30
H-bond acceptors
11
H-bond donors
2
Molar refractivity
128.55
TPSA
151.68

LogP / Solubility

MLOGP
0.04
XLogP3
-4.2
Consensus LogP
-1.39
Log S (ESOL)
-1.13
Class (ESOL)
Soluble
Log S (Ali)
-3.89
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-6.69
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
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)
-5.94

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4

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