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CAS 1421933-29-0 Azido-PEG4-Amido-tri-(t-butoxycarbonylethoxymethyl)-methane molecular structure lightbox
CAS RN: 1421933-29-0

Azido-PEG4-Amido-tri-(t-butoxycarbonylethoxymethyl)-methane

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260628 250mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS1421933-29-0
  • Purity/Analytical Methods: >99.0%
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1421933-29-0 / tert-butyl 3-[2-[3-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]propanoylamino]-3-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropoxy]-2-[[3-[(2-methylpropan-2-yl)oxy]-3-oxopropoxy]methyl]propoxy]propanoate

Standard CAS: 1421933-29-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1421933-29-0
Multi CAS
No
Molecular Formula
C36H66N4O14
Molecular Weight
778.900000
Exact Mass
778.457553
SMILES
CC(C)(C)OC(=O)CCOCC(COCCC(=O)OC(C)(C)C)(COCCC(=O)OC(C)(C)C)NC(=O)CCOCCOCCOCCOCCN=[N+]=[N-]
InChI
InChI=1S/C36H66N4O14/c1-33(2,3)52-30(42)11-16-49-26-36(27-50-17-12-31(43)53-34(4,5)6,28-51-18-13-32(44)54-35(7,8)9)39-29(41)10-15-45-20-22-47-24-25-48-23-21-46-19-14-38-40-37/h10-28H2,1-9H3,(H,39,41)
InChIKey
WXDPDERWOTZNLB-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
54
Fraction Csp3
0.89
Rotatable bonds
31
H-bond acceptors
15
H-bond donors
1
Molar refractivity
196.62
TPSA
221.37

LogP / Solubility

WLOGP
3.85
MLOGP
3.46
XLogP3
1.7
Consensus LogP
3
Log S (ESOL)
-5.05
Class (ESOL)
Slightly soluble
Log S (Ali)
-8.73
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-11.64
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
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)
-4.74

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
PAINS alerts
1
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4

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