4-hydroxy-3-(3-oxo-1-phenylpentyl)-2H-thiochromen-2-one
TL;DR: 4-hydroxy-3-(3-oxo-1-phenylpentyl)-2H-thiochromen-2-one (CAS 65591-76-6) is a chemical compound with molecular formula C20H18O3S and molecular weight 338.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-hydroxy-3-(3-oxo-1-phenylpentyl)thiochromen-4-one
Also Known As: 2-hydroxy-3-(3-oxo-1-phenylpentyl)thiochromen-4-one, 4-hydroxy-3-(3-oxo-1-phenylpentyl)-2H-thiochromen-2-one, 4-hydroxy-3-(3-oxo-1-phenylpentyl)benzo[e]thiin-2-one, 2H-1-Benzothiopyran-2-one, 4-hydroxy-3-(3-oxo-1-phenylpentyl)-, 2-Hydroxy-3-(3-oxo-1-phenylpentyl)-4H-1-benzothiopyran-4-one
| Molecular Formula | C20H18O3S |
|---|---|
| Molecular Weight | 338.10 g/mol |
| LogP | 4.4682 |
| Topological Polar Surface Area | 54.37 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 338.09766 |
| Heavy Atoms | 24 |
| Complexity | 928.51685 |
Chemical Identifiers
| CAS Number | 65591-76-6 |
|---|---|
| SMILES | CCC(=O)CC(C1=CC=CC=C1)C2=C(SC3=CC=CC=C3C2=O)O |
Product Overview
4-hydroxy-3-(3-oxo-1-phenylpentyl)-2H-thiochromen-2-one (CAS 65591-76-6), with molecular formula C20H18O3S and molecular weight 338.10 g/mol. IUPAC: 2-hydroxy-3-(3-oxo-1-phenylpentyl)thiochromen-4-one.
Chemical Property Profile of 4-hydroxy-3-(3-oxo-1-phenylpentyl)-2H-thiochromen-2-one
Property Insights of 4-hydroxy-3-(3-oxo-1-phenylpentyl)-2H-thiochromen-2-one
The XLogP value of 4.4682 indicates that 4-hydroxy-3-(3-oxo-1-phenylpentyl)-2H-thiochromen-2-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.37 Ų, 4-hydroxy-3-(3-oxo-1-phenylpentyl)-2H-thiochromen-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-hydroxy-3-(3-oxo-1-phenylpentyl)-2H-thiochromen-2-one has 1 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 4-hydroxy-3-(3-oxo-1-phenylpentyl)-2H-thiochromen-2-one?
The CAS number of 4-hydroxy-3-(3-oxo-1-phenylpentyl)-2H-thiochromen-2-one is 65591-76-6.
What is the molecular formula of 4-hydroxy-3-(3-oxo-1-phenylpentyl)-2H-thiochromen-2-one?
The molecular formula of 4-hydroxy-3-(3-oxo-1-phenylpentyl)-2H-thiochromen-2-one is C20H18O3S.
What is the molecular weight of 4-hydroxy-3-(3-oxo-1-phenylpentyl)-2H-thiochromen-2-one?
The molecular weight of 4-hydroxy-3-(3-oxo-1-phenylpentyl)-2H-thiochromen-2-one is 338.10 g/mol.
Where can I buy 4-hydroxy-3-(3-oxo-1-phenylpentyl)-2H-thiochromen-2-one?
You can request a quote for 4-hydroxy-3-(3-oxo-1-phenylpentyl)-2H-thiochromen-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-hydroxy-3-(3-oxo-1-phenylpentyl)-2H-thiochromen-2-one?
Yes, KEHONG BIO provides custom synthesis services for 4-hydroxy-3-(3-oxo-1-phenylpentyl)-2H-thiochromen-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.