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CAS 2093152-83-9 t-Boc-aminooxy-PEG6-propargyl molecular structure lightbox
CAS RN: 2093152-83-9

t-Boc-aminooxy-PEG6-propargyl

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250112 1g Out of stock 15 business days Inquiry
  • Product code: starshine_CAS2093152-83-9
  • Purity/Analytical Methods: >99.0%
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2093152-83-9 / tert-butyl N-[2-[2-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]carbamate

Standard CAS: 2093152-83-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2093152-83-9
Multi CAS
No
Molecular Formula
C20H37NO9
Molecular Weight
435.500000
Exact Mass
435.246832
SMILES
CC(C)(C)OC(=O)NOCCOCCOCCOCCOCCOCCOCC#C
InChI
InChI=1S/C20H37NO9/c1-5-6-23-7-8-24-9-10-25-11-12-26-13-14-27-15-16-28-17-18-29-21-19(22)30-20(2,3)4/h1H,6-18H2,2-4H3,(H,21,22)
InChIKey
DQTCIKPJPWPYEY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
30
Fraction Csp3
0.85
Rotatable bonds
20
H-bond acceptors
9
H-bond donors
1
Molar refractivity
109.07
TPSA
102.94

LogP / Solubility

WLOGP
1.18
MLOGP
1.06
XLogP3
0.2
Consensus LogP
0.81
Log S (ESOL)
-1.96
Class (ESOL)
Soluble
Log S (Ali)
-3.98
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-5.87
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.54

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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