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CAS 1283658-71-8 Methylamino-PEG4-acid molecular structure lightbox
CAS RN: 1283658-71-8

Methylamino-PEG4-acid

  • Product code: SSC-035656
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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, 5g
  • Available purity: >95%
  • Inventory rows with stock: 4
  • 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 1283658-71-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >95% 1 In Stock Hong Kong Inquiry
0.25g >95% 1 In Stock Shanghai Inquiry
1g >95% 1 In Stock Shanghai Inquiry
5g >95% 1 In Stock Shenzhen Inquiry

1283658-71-8 / 3-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid

Standard CAS: 1283658-71-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1283658-71-8
Multi CAS
No
Molecular Formula
C12H25NO6
Molecular Weight
279.330000
Exact Mass
279.168188
SMILES
CNCCOCCOCCOCCOCCC(=O)O
InChI
InChI=1S/C12H25NO6/c1-13-3-5-17-7-9-19-11-10-18-8-6-16-4-2-12(14)15/h13H,2-11H2,1H3,(H,14,15)
InChIKey
NVNPCETYZYDTLZ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Fraction Csp3
0.92
Rotatable bonds
15
H-bond acceptors
6
H-bond donors
2
Molar refractivity
69.46
TPSA
86.25

LogP / Solubility

WLOGP
-0.25
MLOGP
-0.21
XLogP3
-3.6
Consensus LogP
-1.35
Log S (ESOL)
-0.42
Class (ESOL)
Very soluble
Log S (Ali)
-1.67
Class (Ali)
Soluble
Log S (SILICOS-IT)
-3.07
Class (SILICOS-IT)
Poorly 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)
-4.6

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
No
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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