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CAS 1310827-27-0 Azido-PEG3-SS-PEG3-azide molecular structure lightbox
CAS RN: 1310827-27-0

Azido-PEG3-SS-PEG3-azide

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3 package records2 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20260103 100mg In stock Inquiry
Batchno.20260219 25mg Out of stock Inquiry
Batchno.20250424 500mg In stock Inquiry
  • Product code: starshine_CAS1310827-27-0
  • Purity/Analytical Methods: >99.0%
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1310827-27-0 / 1-azido-2-[2-[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyldisulfanyl]ethoxy]ethoxy]ethoxy]ethane

Standard CAS: 1310827-27-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1310827-27-0
Multi CAS
No
Molecular Formula
C16H32N6O6S2
Molecular Weight
468.600000
Exact Mass
468.182475
SMILES
C(COCCOCCOCCSSCCOCCOCCOCCN=[N+]=[N-])N=[N+]=[N-]
InChI
InChI=1S/C16H32N6O6S2/c17-21-19-1-3-23-5-7-25-9-11-27-13-15-29-30-16-14-28-12-10-26-8-6-24-4-2-20-22-18/h1-16H2
InChIKey
RTXZMZORLYBGQN-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
30
Fraction Csp3
1
Rotatable bonds
25
H-bond acceptors
10
Molar refractivity
117.86
TPSA
152.9

LogP / Solubility

WLOGP
3.09
MLOGP
2.75
XLogP3
1.8
Consensus LogP
2.55
Log S (ESOL)
-3.04
Class (ESOL)
Poorly soluble
Log S (Ali)
-5.63
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-8.27
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)
-3.39

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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