2-Oxo-2-phenylethyl 3-((4-nitrobenzyl)thio)propanoate
TL;DR: 2-Oxo-2-phenylethyl 3-((4-nitrobenzyl)thio)propanoate (CAS 304475-11-4) is a chemical compound with molecular formula C18H17NO5S and molecular weight 359.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
phenacyl 3-[(4-nitrophenyl)methylsulfanyl]propanoate
Also Known As: 2-oxo-2-phenylethyl 3-((4-nitrobenzyl)thio)propanoate, BIM-0026400.P001, UPCMLD0ENAT0501-3589:001, phenacyl 3-[(4-nitrophenyl)methylsulfanyl]propanoate, F0223-0070
| Molecular Formula | C18H17NO5S |
|---|---|
| Molecular Weight | 359.08 g/mol |
| LogP | 3.6442 |
| Topological Polar Surface Area | 86.51 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 359.08273 |
| Heavy Atoms | 25 |
| Complexity | 730.8915 |
Chemical Identifiers
| CAS Number | 304475-11-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)COC(=O)CCSCC2=CC=C(C=C2)[N+](=O)[O-] |
Product Overview
2-Oxo-2-phenylethyl 3-((4-nitrobenzyl)thio)propanoate (CAS 304475-11-4), with molecular formula C18H17NO5S and molecular weight 359.08 g/mol. IUPAC: phenacyl 3-[(4-nitrophenyl)methylsulfanyl]propanoate.
Chemical Property Profile of 2-Oxo-2-phenylethyl 3-((4-nitrobenzyl)thio)propanoate
Property Insights of 2-Oxo-2-phenylethyl 3-((4-nitrobenzyl)thio)propanoate
The XLogP value of 3.6442 indicates that 2-Oxo-2-phenylethyl 3-((4-nitrobenzyl)thio)propanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 86.51 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Oxo-2-phenylethyl 3-((4-nitrobenzyl)thio)propanoate. Following Lipinski's Rule of Five, 2-Oxo-2-phenylethyl 3-((4-nitrobenzyl)thio)propanoate has 0 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 2-Oxo-2-phenylethyl 3-((4-nitrobenzyl)thio)propanoate?
The CAS number of 2-Oxo-2-phenylethyl 3-((4-nitrobenzyl)thio)propanoate is 304475-11-4.
What is the molecular formula of 2-Oxo-2-phenylethyl 3-((4-nitrobenzyl)thio)propanoate?
The molecular formula of 2-Oxo-2-phenylethyl 3-((4-nitrobenzyl)thio)propanoate is C18H17NO5S.
What is the molecular weight of 2-Oxo-2-phenylethyl 3-((4-nitrobenzyl)thio)propanoate?
The molecular weight of 2-Oxo-2-phenylethyl 3-((4-nitrobenzyl)thio)propanoate is 359.08 g/mol.
Where can I buy 2-Oxo-2-phenylethyl 3-((4-nitrobenzyl)thio)propanoate?
You can request a quote for 2-Oxo-2-phenylethyl 3-((4-nitrobenzyl)thio)propanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Oxo-2-phenylethyl 3-((4-nitrobenzyl)thio)propanoate?
Yes, KEHONG BIO provides custom synthesis services for 2-Oxo-2-phenylethyl 3-((4-nitrobenzyl)thio)propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.