CAS RN: 150809-76-0
Phenyl 3,4,6-tri-O-acetyl-2-azido-2-deoxy-1-seleno-α-D-galactopyranoside
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20251024 | 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS150809-76-0
- Purity/Analytical Methods: >99.0%
150809-76-0 / [(2R,3R,4R,5R,6R)-3,4-diacetyloxy-5-azido-6-phenylselanyloxan-2-yl]methyl acetate
Basic Information
CAS
150809-76-0
Multi CAS
No
Molecular Formula
C18H21N3O7Se
Molecular Weight
470.300000
Exact Mass
471.054470
SMILES
CC(=O)OC[C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)[Se]C2=CC=CC=C2)N=[N+]=[N-])OC(=O)C)OC(=O)C
InChI
InChI=1S/C18H21N3O7Se/c1-10(22)25-9-14-16(26-11(2)23)17(27-12(3)24)15(20-21-19)18(28-14)29-13-7-5-4-6-8-13/h4-8,14-18H,9H2,1-3H3
InChIKey
SNFHHKWJGMICKN-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
29
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
7
H-bond acceptors
8
Molar refractivity
101.17
TPSA
136.89
LogP / Solubility
WLOGP
0.85
MLOGP
0.78
XLogP3
0.85
Consensus LogP
0.83
Log S (ESOL)
-2.98
Class (ESOL)
Moderately soluble
Log S (Ali)
-4.03
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.26
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)
-4.99
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
No
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
5
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