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CAS 2055040-85-0 m-PEG3-S-PEG4-propargyl molecular structure lightbox
CAS RN: 2055040-85-0

m-PEG3-S-PEG4-propargyl

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260324 1mg / 5mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS2055040-85-0
  • Purity/Analytical Methods: >99.0%
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2055040-85-0 / 3-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethylsulfanyl]ethoxy]ethoxy]ethoxy]ethoxy]prop-1-yne

Standard CAS: 2055040-85-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2055040-85-0
Multi CAS
No
Molecular Formula
C18H34O7S
Molecular Weight
394.500000
Exact Mass
394.202525
SMILES
COCCOCCOCCSCCOCCOCCOCCOCC#C
InChI
InChI=1S/C18H34O7S/c1-3-4-20-7-8-22-9-10-23-12-14-25-16-18-26-17-15-24-13-11-21-6-5-19-2/h1H,4-18H2,2H3
InChIKey
CTBBDPQKEHYMEE-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
26
Fraction Csp3
0.89
Rotatable bonds
22
H-bond acceptors
8
Molar refractivity
102.95
TPSA
64.61

LogP / Solubility

WLOGP
1.1
MLOGP
0.99
Consensus LogP
0.7
Log S (ESOL)
-1.53
Class (ESOL)
Soluble
Log S (Ali)
-3.59
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-5.78
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.35

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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