S-((Tetrahydro-2-oxo-4-phenyl-3-furanyl)methyl) 4-methylbenzenecarbothioate
TL;DR: S-((Tetrahydro-2-oxo-4-phenyl-3-furanyl)methyl) 4-methylbenzenecarbothioate (CAS 98163-72-5) is a chemical compound with molecular formula C19H18O3S and molecular weight 326.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
O-[[(3S)-2-oxo-4-phenyloxolan-3-yl]methyl] 4-methylbenzenecarbothioate
Also Known As: S-((Tetrahydro-2-oxo-4-phenyl-3-furanyl)methyl) 4-methylbenzenecarbothioate, Benzenecarbothioic acid, 4-methyl-, S-((tetrahydro-2-oxo-4-phenyl-3-furanyl)methyl) ester, O-[(2-Oxo-4-phenyloxolan-3-yl)methyl] 4-methylbenzene-1-carbothioate, O-[[(3S)-2-oxo-4-phenyloxolan-3-yl]methyl] 4-methylbenzenecarbothioate, O-{[(3S)-2-Oxo-4-phenyloxolan-3-yl]methyl} 4-methylbenzene-1-carbothioate
| Molecular Formula | C19H18O3S |
|---|---|
| Molecular Weight | 326.10 g/mol |
| LogP | 3.64392 |
| Topological Polar Surface Area | 35.53 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 326.09766 |
| Heavy Atoms | 23 |
| Complexity | 694.31445 |
Chemical Identifiers
| CAS Number | 98163-72-5 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C(=S)OC[C@@H]2C(COC2=O)C3=CC=CC=C3 |
Product Overview
S-((Tetrahydro-2-oxo-4-phenyl-3-furanyl)methyl) 4-methylbenzenecarbothioate (CAS 98163-72-5), with molecular formula C19H18O3S and molecular weight 326.10 g/mol. IUPAC: O-[[(3S)-2-oxo-4-phenyloxolan-3-yl]methyl] 4-methylbenzenecarbothioate.
Chemical Property Profile of S-((Tetrahydro-2-oxo-4-phenyl-3-furanyl)methyl) 4-methylbenzenecarbothioate
Property Insights of S-((Tetrahydro-2-oxo-4-phenyl-3-furanyl)methyl) 4-methylbenzenecarbothioate
The XLogP value of 3.64392 indicates that S-((Tetrahydro-2-oxo-4-phenyl-3-furanyl)methyl) 4-methylbenzenecarbothioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.53 Ų, S-((Tetrahydro-2-oxo-4-phenyl-3-furanyl)methyl) 4-methylbenzenecarbothioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, S-((Tetrahydro-2-oxo-4-phenyl-3-furanyl)methyl) 4-methylbenzenecarbothioate has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of S-((Tetrahydro-2-oxo-4-phenyl-3-furanyl)methyl) 4-methylbenzenecarbothioate?
The CAS number of S-((Tetrahydro-2-oxo-4-phenyl-3-furanyl)methyl) 4-methylbenzenecarbothioate is 98163-72-5.
What is the molecular formula of S-((Tetrahydro-2-oxo-4-phenyl-3-furanyl)methyl) 4-methylbenzenecarbothioate?
The molecular formula of S-((Tetrahydro-2-oxo-4-phenyl-3-furanyl)methyl) 4-methylbenzenecarbothioate is C19H18O3S.
What is the molecular weight of S-((Tetrahydro-2-oxo-4-phenyl-3-furanyl)methyl) 4-methylbenzenecarbothioate?
The molecular weight of S-((Tetrahydro-2-oxo-4-phenyl-3-furanyl)methyl) 4-methylbenzenecarbothioate is 326.10 g/mol.
Where can I buy S-((Tetrahydro-2-oxo-4-phenyl-3-furanyl)methyl) 4-methylbenzenecarbothioate?
You can request a quote for S-((Tetrahydro-2-oxo-4-phenyl-3-furanyl)methyl) 4-methylbenzenecarbothioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for S-((Tetrahydro-2-oxo-4-phenyl-3-furanyl)methyl) 4-methylbenzenecarbothioate?
Yes, KEHONG BIO provides custom synthesis services for S-((Tetrahydro-2-oxo-4-phenyl-3-furanyl)methyl) 4-methylbenzenecarbothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.