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CAS 1973383-30-0 Propargyl-PEG6-Br molecular structure lightbox
CAS RN: 1973383-30-0

Propargyl-PEG6-Br

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250626 100mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS1973383-30-0
  • Purity/Analytical Methods: >99.0%
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1973383-30-0 / 3-[2-[2-[2-[2-[2-(2-bromoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]prop-1-yne

Standard CAS: 1973383-30-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1973383-30-0
Multi CAS
No
Molecular Formula
C15H27BrO6
Molecular Weight
383.270000
Exact Mass
382.099100
SMILES
C#CCOCCOCCOCCOCCOCCOCCBr
InChI
InChI=1S/C15H27BrO6/c1-2-4-17-6-8-19-10-12-21-14-15-22-13-11-20-9-7-18-5-3-16/h1H,3-15H2
InChIKey
VADSRAOHGSOPAQ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
22
Fraction Csp3
0.87
Rotatable bonds
18
H-bond acceptors
6
Molar refractivity
87.54
TPSA
55.38

LogP / Solubility

WLOGP
1.11
MLOGP
1
XLogP3
0.2
Consensus LogP
0.77
Log S (ESOL)
-1.73
Class (ESOL)
Soluble
Log S (Ali)
-3.51
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-5.24
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)
-4.27

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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