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CAS 2055046-22-3 N-Me-N-(PEG3-OH)2 molecular structure lightbox
CAS RN: 2055046-22-3

N-Me-N-(PEG3-OH)2

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260409 1g Out of stock 15 business days Inquiry
  • Product code: starshine_CAS2055046-22-3
  • Purity/Analytical Methods: >99.0%
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2055046-22-3 / 2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl-methylamino]ethoxy]ethoxy]ethoxy]ethanol

Standard CAS: 2055046-22-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2055046-22-3
Multi CAS
No
Molecular Formula
C17H37NO8
Molecular Weight
383.500000
Exact Mass
383.251917
SMILES
CN(CCOCCOCCOCCO)CCOCCOCCOCCO
InChI
InChI=1S/C17H37NO8/c1-18(2-6-21-10-14-25-16-12-23-8-4-19)3-7-22-11-15-26-17-13-24-9-5-20/h19-20H,2-17H2,1H3
InChIKey
OFUZCSHYMKKGIL-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
26
Fraction Csp3
1
Rotatable bonds
22
H-bond acceptors
9
H-bond donors
2
Molar refractivity
96.58
TPSA
99.08

LogP / Solubility

WLOGP
-1
MLOGP
-0.86
XLogP3
-2
Consensus LogP
-1.29
Log S (ESOL)
-0.14
Class (ESOL)
Very soluble
Log S (Ali)
-1.98
Class (Ali)
Soluble
Log S (SILICOS-IT)
-3.96
Class (SILICOS-IT)
Poorly soluble

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)
-5.77

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
No
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

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