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CAS 1398044-55-7 Azido-PEG4-Amido-Tris molecular structure lightbox
CAS RN: 1398044-55-7

Azido-PEG4-Amido-Tris

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4 package records2 with current stock2 grade groups
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250715 100mg Out of stock 15 business days Inquiry
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250613 100mg In stock Inquiry
Batchno.20260516 25mg Out of stock Inquiry
Batchno.20250714 500mg In stock Inquiry
  • Product code: starshine_CAS1398044-55-7
  • Purity/Analytical Methods: >99.0%
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1398044-55-7 / 3-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]propanamide

Standard CAS: 1398044-55-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1398044-55-7
Multi CAS
No
Molecular Formula
C15H30N4O8
Molecular Weight
394.420000
Exact Mass
394.206364
SMILES
C(COCCOCCOCCOCCN=[N+]=[N-])C(=O)NC(CO)(CO)CO
InChI
InChI=1S/C15H30N4O8/c16-19-17-2-4-25-6-8-27-10-9-26-7-5-24-3-1-14(23)18-15(11-20,12-21)13-22/h20-22H,1-13H2,(H,18,23)
InChIKey
VHNSHQSKKKHCAL-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
27
Fraction Csp3
0.93
Rotatable bonds
19
H-bond acceptors
9
H-bond donors
4
Molar refractivity
94.04
TPSA
175.47

LogP / Solubility

WLOGP
-1.41
MLOGP
-1.22
XLogP3
-2.4
Consensus LogP
-1.68
Log S (ESOL)
-0.14
Class (ESOL)
Very soluble
Log S (Ali)
-1.77
Class (Ali)
Soluble
Log S (SILICOS-IT)
-3.33
Class (SILICOS-IT)
Poorly 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)
-6.13

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
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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