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CAS 1858224-15-3 GlcNAcβ(1-2)Man-α-ethylazide molecular structure lightbox
CAS RN: 1858224-15-3

GlcNAcβ(1-2)Man-α-ethylazide

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260314 5mg / 25mg Out of stock 5-7 business days Inquiry
  • Product code: ICTG0337
  • Purity/Analytical Methods: >98.0%(HPLC)
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1858224-15-3 / N-[(2S,3R,4R,5S,6R)-2-[(2S,3S,4S,5S,6R)-2-(2-azidoethoxy)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide

Standard CAS: 1858224-15-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1858224-15-3
Multi CAS
No
Molecular Formula
C16H28N4O11
Molecular Weight
452.410000
Exact Mass
452.175458
SMILES
CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O[C@H]2[C@H]([C@@H]([C@H](O[C@@H]2OCCN=[N+]=[N-])CO)O)O)CO)O)O
InChI
InChI=1S/C16H28N4O11/c1-6(23)19-9-12(26)10(24)7(4-21)29-15(9)31-14-13(27)11(25)8(5-22)30-16(14)28-3-2-18-20-17/h7-16,21-22,24-27H,2-5H2,1H3,(H,19,23)/t7-,8-,9-,10-,11-,12-,13+,14+,15+,16+/m1/s1
InChIKey
BFBRNUJPGYGVRQ-FHYRXMKOSA-N

Computed Properties

Structural Parameters

Heavy atom count
31
Fraction Csp3
0.94
Rotatable bonds
9
H-bond acceptors
12
H-bond donors
7
Molar refractivity
97.96
TPSA
236.16

LogP / Solubility

WLOGP
-3.92
MLOGP
-3.42
XLogP3
-2.7
Consensus LogP
-3.35
Log S (ESOL)
0.42
Class (ESOL)
Highly soluble
Log S (Ali)
-0.44
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.43
Class (SILICOS-IT)
Very soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-8.26

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
7.5

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