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CAS 1334170-02-3 alpha, oMega-DisucciniMidyl hexaethylene glycol molecular structure lightbox
CAS RN: 1334170-02-3

alpha, oMega-DisucciniMidyl hexaethylene glycol

  • Product code: SSC-040128
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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: 1g
  • 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 1334170-02-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

1334170-02-3 / (2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[2-[2-[2-[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate

Standard CAS: 1334170-02-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1334170-02-3
Multi CAS
No
Molecular Formula
C26H40N2O15
Molecular Weight
620.600000
Exact Mass
620.242869
SMILES
C1CC(=O)N(C1=O)OC(=O)CCOCCOCCOCCOCCOCCOCCOCCC(=O)ON2C(=O)CCC2=O
InChI
InChI=1S/C26H40N2O15/c29-21-1-2-22(30)27(21)42-25(33)5-7-35-9-11-37-13-15-39-17-19-41-20-18-40-16-14-38-12-10-36-8-6-26(34)43-28-23(31)3-4-24(28)32/h1-20H2
InChIKey
QWDCSPQIVZTPRD-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
43
Fraction Csp3
0.77
Rotatable bonds
26
H-bond acceptors
15
Molar refractivity
139.32
TPSA
191.97

LogP / Solubility

WLOGP
-0.9
MLOGP
-0.74
XLogP3
-2.9
Consensus LogP
-1.51
Log S (ESOL)
-1.4
Class (ESOL)
Soluble
Log S (Ali)
-4
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-6.06
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)
-7.15

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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