CAS RN: 10048-32-5
PARASORBICACID
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.20250224 | 100mg / 250mg / 500mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS10048-32-5
- Purity/Analytical Methods: >99.0%
10048-32-5 / (2S)-2-methyl-2,3-dihydropyran-6-one
6-Methyl-5,6-dihydro-2H-pyran-2-one | 5,6-DIHYDRO-6-METHYL-2H-PYRAN-2-ONE | DTXSID50871944
Basic Information
CAS
10048-32-5
Multi CAS
Yes
Molecular Formula
C6H8O2
Molecular Weight
112.130000
Exact Mass
112.052429
SMILES
C[C@H]1CC=CC(=O)O1
InChI
InChI=1S/C6H8O2/c1-5-3-2-4-6(7)8-5/h2,4-5H,3H2,1H3/t5-/m0/s1
InChIKey
DYNKRGCMLGUEMN-YFKPBYRVSA-N
Synonyms
6-Methyl-5,6-dihydro-2H-pyran-2-one
5,6-DIHYDRO-6-METHYL-2H-PYRAN-2-ONE
DTXSID50871944
RefChem:543928
DTXCID00819553
Computed Properties
Structural Parameters
Heavy atom count
8
Fraction Csp3
0.5
H-bond acceptors
2
Molar refractivity
29.31
TPSA
26.3
LogP / Solubility
WLOGP
0.88
MLOGP
0.76
XLogP3
1.1
Consensus LogP
0.91
Log S (ESOL)
-1.09
Class (ESOL)
Soluble
Log S (Ali)
-1.11
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.12
Class (SILICOS-IT)
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)
-2.78
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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- Purity/Analytical method: >99.0%
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