CAS RN: 1402411-88-4

Azido-PEG5-succinimidyl carbonate

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Batchno.20250903 100mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS1402411-88-4
  • Purity/Analytical Methods: >99.0%
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1402411-88-4 / 2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl (2,5-dioxopyrrolidin-1-yl) carbonate

Standard CAS: 1402411-88-4 Multi CAS: No

Basic Information

CAS
1402411-88-4
Multi CAS
No
Molecular Formula
C17H28N4O10
Molecular Weight
448.400000
Exact Mass
448.180543
SMILES
C1CC(=O)N(C1=O)OC(=O)OCCOCCOCCOCCOCCOCCN=[N+]=[N-]
InChI
InChI=1S/C17H28N4O10/c18-20-19-3-4-25-5-6-26-7-8-27-9-10-28-11-12-29-13-14-30-17(24)31-21-15(22)1-2-16(21)23/h1-14H2
InChIKey
RDPYDXXYIRLZAG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
31
Fraction Csp3
0.82
Rotatable bonds
19
H-bond acceptors
11
Molar refractivity
101.63
TPSA
167.82

LogP / Solubility

WLOGP
0.6
MLOGP
0.56
XLogP3
-0.2
Consensus LogP
0.32
Log S (ESOL)
-1.74
Class (ESOL)
Soluble
Log S (Ali)
-3.67
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-5.35
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-5.03

Drug-likeness / Medicinal Chemistry

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

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