CAS RN: 15430-78-1
2′-FORMYLPHENYL 2-ACETAMIDO-2-DEOXY-BETA-D-GLUCOPYRANOSIDE
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260415 | 25mg / 100mg / 250mg / 1g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS15430-78-1
- Purity/Analytical Methods: >99.0%
15430-78-1 / N-[(2S,3R,4R,5S,6R)-2-(2-formylphenoxy)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
Basic Information
CAS
15430-78-1
Multi CAS
No
Molecular Formula
C15H19NO7
Molecular Weight
325.310000
Exact Mass
325.116152
SMILES
CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1OC2=CC=CC=C2C=O)CO)O)O
InChI
InChI=1S/C15H19NO7/c1-8(19)16-12-14(21)13(20)11(7-18)23-15(12)22-10-5-3-2-4-9(10)6-17/h2-6,11-15,18,20-21H,7H2,1H3,(H,16,19)/t11-,12-,13-,14-,15-/m1/s1
InChIKey
DIOIKYCIVSLRPT-KJWHEZOQSA-N
Computed Properties
Structural Parameters
Heavy atom count
23
Aromatic heavy atom count
6
Fraction Csp3
0.47
Rotatable bonds
5
H-bond acceptors
7
H-bond donors
4
Molar refractivity
77.82
TPSA
125.32
LogP / Solubility
WLOGP
-1.18
MLOGP
-1.02
XLogP3
-1.6
Consensus LogP
-1.27
Log S (ESOL)
-0.98
Class (ESOL)
Very soluble
Log S (Ali)
-1.38
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.4
Class (SILICOS-IT)
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)
-5.54
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
5
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