![CAS 96422-53-6 [S,(+)]-6β-[(1S,2S)-1-Acetyloxy-2-hydroxy-2-phenylethyl]-5,6-dihydro-2H-pyran-2-one molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/96422-53-6.gif)
CAS RN: 96422-53-6
[S,(+)]-6β-[(1S,2S)-1-Acetyloxy-2-hydroxy-2-phenylethyl]-5,6-dihydro-2H-pyran-2-one
Product Availability
Choose a grade to view its available package options.
2 package records0 with current stock2 grade groups
- Product code: starshine_CAS96422-53-6
- Purity/Analytical Methods: >99.0%
96422-53-6 / [(1R,2R)-2-hydroxy-1-[(2R)-6-oxo-2,3-dihydropyran-2-yl]-2-phenylethyl] acetate
Basic Information
CAS
96422-53-6
Multi CAS
Yes
Molecular Formula
C15H16O5
Molecular Weight
276.280000
Exact Mass
276.099774
InChI
InChI=1S/C15H16O5/c1-10(16)19-15(12-8-5-9-13(17)20-12)14(18)11-6-3-2-4-7-11/h2-7,9,12,14-15,18H,8H2,1H3/t12-,14-,15+/m1/s1
InChIKey
ZBNYDADZMLZTAX-YUELXQCFSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
4
H-bond acceptors
5
H-bond donors
1
Molar refractivity
70.59
TPSA
72.83
LogP / Solubility
WLOGP
1.52
MLOGP
1.35
XLogP3
1.5
Consensus LogP
1.46
Log S (ESOL)
-2.47
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.93
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.2
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.32
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3
Customers Also Viewed
-
![CAS 96428-16-9 8-BENZYLOXY-IMIDAZO[1,2-A]PYRIDINE molecular structure](data:image/svg+xml,%3Csvg%20xmlns='http://www.w3.org/2000/svg'%20viewBox='0%200%200%200'%3E%3C/svg%3E)
8-BENZYLOXY-IMIDAZO[1,2-A]PYRIDINE
- CAS RN: 96428-16-9
- Product Code: starshine_CAS96428-16-9
- Purity/Analytical method: >99.0%
-
8-BENZYLOXY-2-METHYL-IMIDAZO[1,2-A]PYRIDINE-3-CARBOXYLIC ACID ETHYL ESTER
- CAS RN: 96428-50-1
- Product Code: SSC-211995
-
-
-
-
(1S,3R)-CIS-3-CARBOMETHOXY CYCLOPENTANE-1-CARBOXYLIC ACID
- CAS RN: 96443-42-4
- Product Code: SSC-212001
![CAS 96428-16-9 8-BENZYLOXY-IMIDAZO[1,2-A]PYRIDINE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/96428-16-9.gif)
![CAS 96428-50-1 8-BENZYLOXY-2-METHYL-IMIDAZO[1,2-A]PYRIDINE-3-CARBOXYLIC ACID ETHYL ESTER molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/96428-50-1.gif)
