![4-hydroxy-3-[1-(4-nitrophenyl)-3-oxopentyl]-2H-thiochromen-2-one structure](/static/products/6559/65591-77-7.webp)
4-hydroxy-3-[1-(4-nitrophenyl)-3-oxopentyl]-2H-thiochromen-2-one
TL;DR: 4-hydroxy-3-[1-(4-nitrophenyl)-3-oxopentyl]-2H-thiochromen-2-one (CAS 65591-77-7) is a chemical compound with molecular formula C20H17NO5S and molecular weight 383.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-hydroxy-3-[1-(4-nitrophenyl)-3-oxopentyl]thiochromen-4-one
Also Known As: 4-hydroxy-3-[1-(4-nitrophenyl)-3-oxopentyl]-2H-thiochromen-2-one, 2-hydroxy-3-[1-(4-nitrophenyl)-3-oxopentyl]thiochromen-4-one, 4-hydroxy-3-(1-(4-nitrophenyl)-3-oxopentyl)-2H-thiochromen-2-one, 4-hydroxy-3-[1-(4-nitrophenyl)-3-oxopentyl]benzo[e]thiin-2-one
| Molecular Formula | C20H17NO5S |
|---|---|
| Molecular Weight | 383.08 g/mol |
| LogP | 4.3764 |
| Topological Polar Surface Area | 97.51 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 383.08273 |
| Heavy Atoms | 27 |
| Complexity | 1071.9174 |
Chemical Identifiers
| CAS Number | 65591-77-7 |
|---|---|
| SMILES | CCC(=O)CC(C1=CC=C(C=C1)[N+](=O)[O-])C2=C(SC3=CC=CC=C3C2=O)O |
Product Overview
4-hydroxy-3-[1-(4-nitrophenyl)-3-oxopentyl]-2H-thiochromen-2-one (CAS 65591-77-7), with molecular formula C20H17NO5S and molecular weight 383.08 g/mol. IUPAC: 2-hydroxy-3-[1-(4-nitrophenyl)-3-oxopentyl]thiochromen-4-one.
Chemical Property Profile of 4-hydroxy-3-[1-(4-nitrophenyl)-3-oxopentyl]-2H-thiochromen-2-one
Property Insights of 4-hydroxy-3-[1-(4-nitrophenyl)-3-oxopentyl]-2H-thiochromen-2-one
The XLogP value of 4.3764 indicates that 4-hydroxy-3-[1-(4-nitrophenyl)-3-oxopentyl]-2H-thiochromen-2-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 97.51 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-hydroxy-3-[1-(4-nitrophenyl)-3-oxopentyl]-2H-thiochromen-2-one. Following Lipinski's Rule of Five, 4-hydroxy-3-[1-(4-nitrophenyl)-3-oxopentyl]-2H-thiochromen-2-one has 1 hydrogen bond donor(s) and 6 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-[1-(4-nitrophenyl)-3-oxopentyl]-2H-thiochromen-2-one?
The CAS number of 4-hydroxy-3-[1-(4-nitrophenyl)-3-oxopentyl]-2H-thiochromen-2-one is 65591-77-7.
What is the molecular formula of 4-hydroxy-3-[1-(4-nitrophenyl)-3-oxopentyl]-2H-thiochromen-2-one?
The molecular formula of 4-hydroxy-3-[1-(4-nitrophenyl)-3-oxopentyl]-2H-thiochromen-2-one is C20H17NO5S.
What is the molecular weight of 4-hydroxy-3-[1-(4-nitrophenyl)-3-oxopentyl]-2H-thiochromen-2-one?
The molecular weight of 4-hydroxy-3-[1-(4-nitrophenyl)-3-oxopentyl]-2H-thiochromen-2-one is 383.08 g/mol.
Where can I buy 4-hydroxy-3-[1-(4-nitrophenyl)-3-oxopentyl]-2H-thiochromen-2-one?
You can request a quote for 4-hydroxy-3-[1-(4-nitrophenyl)-3-oxopentyl]-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-[1-(4-nitrophenyl)-3-oxopentyl]-2H-thiochromen-2-one?
Yes, KEHONG BIO provides custom synthesis services for 4-hydroxy-3-[1-(4-nitrophenyl)-3-oxopentyl]-2H-thiochromen-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.