CAS RN: 1260619-58-6
4-Acetamidophenyl-d3-2,3,4-tri-O-acetyl–D-glucuronide, Methyl Ester
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.20250823 | 100mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS1260619-58-6
- Purity/Analytical Methods: >99.0%
1260619-58-6 / methyl (2S,3S,4S,5R,6S)-3,4,5-triacetyloxy-6-[4-[(2,2,2-trideuterioacetyl)amino]phenoxy]oxane-2-carboxylate
Basic Information
CAS
1260619-58-6
Multi CAS
No
Molecular Formula
C21H25NO11
Molecular Weight
470.400000
Exact Mass
470.161591
SMILES
[2H]C([2H])([2H])C(=O)NC1=CC=C(C=C1)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)OC)OC(=O)C)OC(=O)C)OC(=O)C
InChI
InChI=1S/C21H25NO11/c1-10(23)22-14-6-8-15(9-7-14)32-21-19(31-13(4)26)17(30-12(3)25)16(29-11(2)24)18(33-21)20(27)28-5/h6-9,16-19,21H,1-5H3,(H,22,23)/t16-,17-,18-,19+,21+/m0/s1/i1D3
InChIKey
CGFRFKWGBUUPFU-MTSSNOLMSA-N
Computed Properties
Structural Parameters
Heavy atom count
33
Aromatic heavy atom count
6
Fraction Csp3
0.48
Rotatable bonds
7
H-bond acceptors
11
H-bond donors
1
Molar refractivity
108.71
TPSA
152.76
LogP / Solubility
WLOGP
0.72
MLOGP
0.66
XLogP3
0.7
Consensus LogP
0.69
Log S (ESOL)
-2.86
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.91
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.13
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)
-5.06
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
5
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