CAS RN: 2452301-27-6
Empagliflozin Impurity 17
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.20250716 | 50mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS2452301-27-6
- Purity/Analytical Methods: >99.0%
2452301-27-6 / (2R,3S,4R,5R,6S)-2-(hydroxymethyl)-6-[3-[[4-[(3S)-oxolan-3-yl]oxyphenyl]methyl]phenyl]oxane-3,4,5-triol
Basic Information
CAS
2452301-27-6
Multi CAS
Yes
Molecular Formula
C23H28O7
Molecular Weight
416.500000
Exact Mass
416.183503
InChI
InChI=1S/C23H28O7/c24-12-19-20(25)21(26)22(27)23(30-19)16-3-1-2-15(11-16)10-14-4-6-17(7-5-14)29-18-8-9-28-13-18/h1-7,11,18-27H,8-10,12-13H2/t18-,19+,20+,21-,22+,23-/m0/s1
InChIKey
OQMQDKPDEZRGNE-PQBVEICXSA-N
Computed Properties
Structural Parameters
Heavy atom count
30
Aromatic heavy atom count
12
Fraction Csp3
0.48
Rotatable bonds
6
H-bond acceptors
7
H-bond donors
4
Molar refractivity
108.26
TPSA
108.61
LogP / Solubility
WLOGP
0.96
MLOGP
0.87
XLogP3
1.4
Consensus LogP
1.08
Log S (ESOL)
-2.93
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.67
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.88
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
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)
-4.58
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
6
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