CAS RN: 58879-34-8
(S)-(+)-DIHYDRO-5-(P-TOLYLSULFONYLOXYMETHYL)-2(3H)-FURANONE
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.20250215 | 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS58879-34-8
- Purity/Analytical Methods: >99.0%
58879-34-8 / [(2S)-5-oxooxolan-2-yl]methyl 4-methylbenzenesulfonate
Basic Information
CAS
58879-34-8
Multi CAS
Yes
Molecular Formula
C12H14O5S
Molecular Weight
270.300000
Exact Mass
270.056195
InChI
InChI=1S/C12H14O5S/c1-9-2-5-11(6-3-9)18(14,15)16-8-10-4-7-12(13)17-10/h2-3,5-6,10H,4,7-8H2,1H3/t10-/m0/s1
InChIKey
MGAXYKDBRBNWKT-JTQLQIEISA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
6
Fraction Csp3
0.42
Rotatable bonds
4
H-bond acceptors
5
Molar refractivity
63.43
TPSA
69.67
LogP / Solubility
WLOGP
1.41
MLOGP
1.25
XLogP3
1.6
Consensus LogP
1.42
Log S (ESOL)
-2.38
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.79
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.06
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)
-3.37
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
2
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