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CAS 66722-87-0 m-PEG3-acid chloride molecular structure lightbox
CAS RN: 66722-87-0

m-PEG3-acid chloride

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251004 1g Out of stock 15 business days Inquiry
  • Product code: starshine_CAS66722-87-0
  • Purity/Analytical Methods: >99.0%
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66722-87-0 / 3-[2-(2-methoxyethoxy)ethoxy]propanoyl chloride

Standard CAS: 66722-87-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
66722-87-0
Multi CAS
No
Molecular Formula
C8H15CLO4
Molecular Weight
210.650000
Exact Mass
210.065887
InChI
InChI=1S/C8H15ClO4/c1-11-4-5-13-7-6-12-3-2-8(9)10/h2-7H2,1H3
InChIKey
PYAOJSQBWUCVSW-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Fraction Csp3
0.88
Rotatable bonds
9
H-bond acceptors
4
Molar refractivity
48.99
TPSA
44.76

LogP / Solubility

WLOGP
0.82
MLOGP
0.72
XLogP3
0.3
Consensus LogP
0.61
Log S (ESOL)
-1.07
Class (ESOL)
Soluble
Log S (Ali)
-1.88
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.79
Class (SILICOS-IT)
Moderately 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)
-3.42

Drug-likeness / Medicinal Chemistry

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

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