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CAS 1609083-15-9 Azido-PEG4-beta-D-glucose molecular structure lightbox
CAS RN: 1609083-15-9

Azido-PEG4-beta-D-glucose

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251103 100mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS1609083-15-9
  • Purity/Analytical Methods: >99.0%
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1609083-15-9 / (2R,3R,4S,5S,6R)-2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]-6-(hydroxymethyl)oxane-3,4,5-triol

Standard CAS: 1609083-15-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1609083-15-9
Multi CAS
No
Molecular Formula
C14H27N3O9
Molecular Weight
381.380000
Exact Mass
381.174729
SMILES
C(COCCOCCOCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)N=[N+]=[N-]
InChI
InChI=1S/C14H27N3O9/c15-17-16-1-2-22-3-4-23-5-6-24-7-8-25-14-13(21)12(20)11(19)10(9-18)26-14/h10-14,18-21H,1-9H2/t10-,11-,12+,13-,14-/m1/s1
InChIKey
AJCOHNWPGBTGTQ-RKQHYHRCSA-N

Computed Properties

Structural Parameters

Heavy atom count
26
Fraction Csp3
1
Rotatable bonds
14
H-bond acceptors
10
H-bond donors
4
Molar refractivity
86.19
TPSA
175.83

LogP / Solubility

WLOGP
-1.84
MLOGP
-1.59
XLogP3
-1.6
Consensus LogP
-1.68
Log S (ESOL)
-0.12
Class (ESOL)
Very soluble
Log S (Ali)
-1.36
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.29
Class (SILICOS-IT)
Moderately 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)
-6.35

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
5

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