RefChem:324462
TL;DR: RefChem:324462 (CAS 118164-95-7) is a chemical compound with molecular formula C18H15ClO3S and molecular weight 346.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
O-[[(3S)-4-(4-chlorophenyl)-2-oxooxolan-3-yl]methyl] benzenecarbothioate
Also Known As: alpha-Benzoylthiomethyl-beta-(p-chlorophenyl)-gamma-butyrolactone, S-(4-(4-Chlorophenyl)tetrahydro-2-oxo-3-furanyl)methyl benzenecarbothioate, Benzenecarbothioic acid, S-((4-(4-chlorophenyl)tetrahydro-2-oxo-3-furanyl)methyl ester, O-[[(3S)-4-(4-chlorophenyl)-2-oxooxolan-3-yl]methyl] benzenecarbothioate, O-{[(3S)-4-(4-Chlorophenyl)-2-oxooxolan-3-yl]methyl} benzenecarbothioate
| Molecular Formula | C18H15ClO3S |
|---|---|
| Molecular Weight | 346.04 g/mol |
| LogP | 3.9889 |
| Topological Polar Surface Area | 35.53 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 346.04303 |
| Heavy Atoms | 23 |
| Complexity | 699.96643 |
Chemical Identifiers
| CAS Number | 118164-95-7 |
|---|---|
| SMILES | C1C([C@H](C(=O)O1)COC(=S)C2=CC=CC=C2)C3=CC=C(C=C3)Cl |
Product Overview
RefChem:324462 (CAS 118164-95-7), with molecular formula C18H15ClO3S and molecular weight 346.04 g/mol. IUPAC: O-[[(3S)-4-(4-chlorophenyl)-2-oxooxolan-3-yl]methyl] benzenecarbothioate.
Chemical Property Profile of RefChem:324462
Property Insights of RefChem:324462
The XLogP value of 3.9889 indicates that RefChem:324462 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.53 Ų, RefChem:324462 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:324462 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 RefChem:324462?
The CAS number of RefChem:324462 is 118164-95-7.
What is the molecular formula of RefChem:324462?
The molecular formula of RefChem:324462 is C18H15ClO3S.
What is the molecular weight of RefChem:324462?
The molecular weight of RefChem:324462 is 346.04 g/mol.
Where can I buy RefChem:324462?
You can request a quote for RefChem:324462 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:324462?
Yes, KEHONG BIO provides custom synthesis services for RefChem:324462 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.