CAS RN: 112052-11-6
(S)-3-P-MESYLOXYTETRAHYDROFURAN
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.20260415 | 100mg / 250mg / 1g / 5g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS112052-11-6
- Purity/Analytical Methods: >99.0%
112052-11-6 / [(3S)-oxolan-3-yl] 4-methylbenzenesulfonate
tetrahydrofuran-3-yl 4-methylbenzenesulfonate | oxolan-3-yl 4-methylbenzenesulfonate | Tetrahydrofuran-3-yl4-methylbenzenesulfonate
Basic Information
CAS
112052-11-6
Multi CAS
Yes
Molecular Formula
C11H14O4S
Molecular Weight
242.290000
Exact Mass
242.061280
SMILES
CC1=CC=C(C=C1)S(=O)(=O)O[C@H]2CCOC2
InChI
InChI=1S/C11H14O4S/c1-9-2-4-11(5-3-9)16(12,13)15-10-6-7-14-8-10/h2-5,10H,6-8H2,1H3/t10-/m0/s1
InChIKey
WWCNXHYRAKUQDB-JTQLQIEISA-N
Synonyms
tetrahydrofuran-3-yl 4-methylbenzenesulfonate
oxolan-3-yl 4-methylbenzenesulfonate
Tetrahydrofuran-3-yl4-methylbenzenesulfonate
Oxolan-3-yl 4-methylbenzene-1-sulfonate
tetrahydro-3-furanyl tosylate
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.45
Rotatable bonds
3
H-bond acceptors
4
Molar refractivity
58.67
TPSA
52.6
LogP / Solubility
WLOGP
1.49
MLOGP
1.32
XLogP3
1.6
Consensus LogP
1.47
Log S (ESOL)
-2.36
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.62
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.83
Class (SILICOS-IT)
Moderately 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)
-3.14
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2
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