Benzenecarbothioic acid, 4-fluoro-, S-((4-(4-chlorophenyl)tetrahydro-2-oxo-3-furanyl)methyl) ester, trans-
TL;DR: Benzenecarbothioic acid, 4-fluoro-, S-((4-(4-chlorophenyl)tetrahydro-2-oxo-3-furanyl)methyl) ester, trans- (CAS 98163-82-7) is a chemical compound with molecular formula C18H14ClFO3S and molecular weight 364.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-[[(3R,4S)-4-(4-chlorophenyl)-2-oxooxolan-3-yl]methyl] 4-fluorobenzenecarbothioate
Also Known As: Benzenecarbothioic acid, 4-fluoro-, S-((4-(4-chlorophenyl)tetrahydro-2-oxo-3-furanyl)methyl) ester, trans-, (3R,4S)-4-(4-chlorophenyl)-3-[(4-fluorobenzoyl)sulfanylmethyl]oxolan-2-one, S-[[(3R,4S)-4-(4-chlorophenyl)-2-oxooxolan-3-yl]methyl] 4-fluorobenzenecarbothioate, S-{[(3R,4S)-4-(4-Chlorophenyl)-2-oxooxolan-3-yl]methyl} 4-fluorobenzene-1-carbothioate, RefChem:324457
| Molecular Formula | C18H14ClFO3S |
|---|---|
| Molecular Weight | 364.03 g/mol |
| LogP | 4.3093 |
| Topological Polar Surface Area | 43.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 364.03363 |
| Heavy Atoms | 24 |
| Complexity | 745.86414 |
Chemical Identifiers
| CAS Number | 98163-82-7 |
|---|---|
| SMILES | C1[C@@H]([C@H](C(=O)O1)CSC(=O)C2=CC=C(C=C2)F)C3=CC=C(C=C3)Cl |
Product Overview
Benzenecarbothioic acid, 4-fluoro-, S-((4-(4-chlorophenyl)tetrahydro-2-oxo-3-furanyl)methyl) ester, trans- (CAS 98163-82-7), with molecular formula C18H14ClFO3S and molecular weight 364.03 g/mol. IUPAC: S-[[(3R,4S)-4-(4-chlorophenyl)-2-oxooxolan-3-yl]methyl] 4-fluorobenzenecarbothioate.
Chemical Property Profile of Benzenecarbothioic acid, 4-fluoro-, S-((4-(4-chlorophenyl)tetrahydro-2-oxo-3-furanyl)methyl) ester, trans-
Property Insights of Benzenecarbothioic acid, 4-fluoro-, S-((4-(4-chlorophenyl)tetrahydro-2-oxo-3-furanyl)methyl) ester, trans-
The XLogP value of 4.3093 indicates that Benzenecarbothioic acid, 4-fluoro-, S-((4-(4-chlorophenyl)tetrahydro-2-oxo-3-furanyl)methyl) ester, trans- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.37 Ų, Benzenecarbothioic acid, 4-fluoro-, S-((4-(4-chlorophenyl)tetrahydro-2-oxo-3-furanyl)methyl) ester, trans- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzenecarbothioic acid, 4-fluoro-, S-((4-(4-chlorophenyl)tetrahydro-2-oxo-3-furanyl)methyl) ester, trans- 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 Benzenecarbothioic acid, 4-fluoro-, S-((4-(4-chlorophenyl)tetrahydro-2-oxo-3-furanyl)methyl) ester, trans-?
The CAS number of Benzenecarbothioic acid, 4-fluoro-, S-((4-(4-chlorophenyl)tetrahydro-2-oxo-3-furanyl)methyl) ester, trans- is 98163-82-7.
What is the molecular formula of Benzenecarbothioic acid, 4-fluoro-, S-((4-(4-chlorophenyl)tetrahydro-2-oxo-3-furanyl)methyl) ester, trans-?
The molecular formula of Benzenecarbothioic acid, 4-fluoro-, S-((4-(4-chlorophenyl)tetrahydro-2-oxo-3-furanyl)methyl) ester, trans- is C18H14ClFO3S.
What is the molecular weight of Benzenecarbothioic acid, 4-fluoro-, S-((4-(4-chlorophenyl)tetrahydro-2-oxo-3-furanyl)methyl) ester, trans-?
The molecular weight of Benzenecarbothioic acid, 4-fluoro-, S-((4-(4-chlorophenyl)tetrahydro-2-oxo-3-furanyl)methyl) ester, trans- is 364.03 g/mol.
Where can I buy Benzenecarbothioic acid, 4-fluoro-, S-((4-(4-chlorophenyl)tetrahydro-2-oxo-3-furanyl)methyl) ester, trans-?
You can request a quote for Benzenecarbothioic acid, 4-fluoro-, S-((4-(4-chlorophenyl)tetrahydro-2-oxo-3-furanyl)methyl) ester, trans- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzenecarbothioic acid, 4-fluoro-, S-((4-(4-chlorophenyl)tetrahydro-2-oxo-3-furanyl)methyl) ester, trans-?
Yes, KEHONG BIO provides custom synthesis services for Benzenecarbothioic acid, 4-fluoro-, S-((4-(4-chlorophenyl)tetrahydro-2-oxo-3-furanyl)methyl) ester, trans- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.