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CAS 918132-15-7 Boc-Aminooxy-PEG3-bromide molecular structure lightbox
CAS RN: 918132-15-7

Boc-Aminooxy-PEG3-bromide

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250401 250mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS918132-15-7
  • Purity/Analytical Methods: >99.0%
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918132-15-7 / tert-butyl N-[2-[2-[2-(2-bromoethoxy)ethoxy]ethoxy]ethoxy]carbamate

Standard CAS: 918132-15-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
918132-15-7
Multi CAS
No
Molecular Formula
BC13H26O6Rn
Molecular Weight
372.250000
Exact Mass
371.094350
InChI
InChI=1S/C13H26BrNO6/c1-13(2,3)21-12(16)15-20-11-10-19-9-8-18-7-6-17-5-4-14/h4-11H2,1-3H3,(H,15,16)
InChIKey
BWEZLXYPVZNLFJ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
21
Fraction Csp3
0.92
Rotatable bonds
12
H-bond acceptors
6
H-bond donors
1
Molar refractivity
81.57
TPSA
75.25

LogP / Solubility

WLOGP
1.89
MLOGP
1.68
XLogP3
1.3
Consensus LogP
1.62
Log S (ESOL)
-2.55
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.98
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-5.09
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.65

Drug-likeness / Medicinal Chemistry

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

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