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CAS 2093152-78-2 N-(Propargyl-PEG2)-N-Boc-PEG3-t-butyl ester molecular structure lightbox
CAS RN: 2093152-78-2

N-(Propargyl-PEG2)-N-Boc-PEG3-t-butyl ester

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250130 100mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS2093152-78-2
  • Purity/Analytical Methods: >99.0%
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2093152-78-2 / tert-butyl 3-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonyl-[2-(2-prop-2-ynoxyethoxy)ethyl]amino]ethoxy]ethoxy]ethoxy]propanoate

Standard CAS: 2093152-78-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2093152-78-2
Multi CAS
No
Molecular Formula
C25H45NO9
Molecular Weight
503.600000
Exact Mass
503.309432
SMILES
CC(C)(C)OC(=O)CCOCCOCCOCCN(CCOCCOCC#C)C(=O)OC(C)(C)C
InChI
InChI=1S/C25H45NO9/c1-8-12-29-16-18-31-14-10-26(23(28)35-25(5,6)7)11-15-32-19-21-33-20-17-30-13-9-22(27)34-24(2,3)4/h1H,9-21H2,2-7H3
InChIKey
CYUDPFZOQSQYJL-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
35
Fraction Csp3
0.84
Rotatable bonds
19
H-bond acceptors
9
Molar refractivity
131.2
TPSA
101.99

LogP / Solubility

WLOGP
2.67
MLOGP
2.39
XLogP3
1.3
Consensus LogP
2.12
Log S (ESOL)
-3.39
Class (ESOL)
Poorly soluble
Log S (Ali)
-5.62
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-7.43
Class (SILICOS-IT)
Insoluble

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
Yes
Log Kp (skin permeation)
-3.9

Drug-likeness / Medicinal Chemistry

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

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