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CAS 153252-44-9 Azido-PEG4-tetra-Ac-beta-D-glucose molecular structure lightbox
CAS RN: 153252-44-9

Azido-PEG4-tetra-Ac-beta-D-glucose

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251123 100mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS153252-44-9
  • Purity/Analytical Methods: >99.0%
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153252-44-9 / [(2R,3S,4S,5R,6R)-3,4,5-triacetyloxy-6-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]oxan-2-yl]methyl acetate

Standard CAS: 153252-44-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
153252-44-9
Multi CAS
No
Molecular Formula
C22H35N3O13
Molecular Weight
549.500000
Exact Mass
549.216988
SMILES
CC(=O)OC[C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)OCCOCCOCCOCCN=[N+]=[N-])OC(=O)C)OC(=O)C)OC(=O)C
InChI
InChI=1S/C22H35N3O13/c1-14(26)34-13-18-19(35-15(2)27)20(36-16(3)28)21(37-17(4)29)22(38-18)33-12-11-32-10-9-31-8-7-30-6-5-24-25-23/h18-22H,5-13H2,1-4H3/t18-,19+,20+,21-,22-/m1/s1
InChIKey
SBLCSGRZSLBMCF-CDJZJNNCSA-N

Computed Properties

Structural Parameters

Heavy atom count
38
Fraction Csp3
0.82
Rotatable bonds
18
H-bond acceptors
14
Molar refractivity
124.38
TPSA
200.11

LogP / Solubility

WLOGP
0.45
MLOGP
0.43
XLogP3
0.2
Consensus LogP
0.36
Log S (ESOL)
-2.34
Class (ESOL)
Moderately soluble
Log S (Ali)
-4.39
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.76
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)
-5.76

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
6.5

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