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CAS 1383658-09-0 m-PEG10-amine molecular structure lightbox
CAS RN: 1383658-09-0

m-PEG10-amine

  • Product code: SSC-048271
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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 1383658-09-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

1383658-09-0 / 2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanamine

Standard CAS: 1383658-09-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1383658-09-0
Multi CAS
No
Molecular Formula
C21H45NO10
Molecular Weight
471.600000
Exact Mass
471.304347
SMILES
COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCN
InChI
InChI=1S/C21H45NO10/c1-23-4-5-25-8-9-27-12-13-29-16-17-31-20-21-32-19-18-30-15-14-28-11-10-26-7-6-24-3-2-22/h2-22H2,1H3
InChIKey
JVILNPVFPORAFH-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
32
Fraction Csp3
1
Rotatable bonds
29
H-bond acceptors
11
H-bond donors
1
Molar refractivity
118.3
TPSA
118.32

LogP / Solubility

WLOGP
-0.26
MLOGP
-0.2
XLogP3
-2.2
Consensus LogP
-0.89
Log S (ESOL)
-0.69
Class (ESOL)
Very soluble
Log S (Ali)
-3.24
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-5.99
Class (SILICOS-IT)
Slightly soluble

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)
-5.78

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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