Ethyl 3-phenyl-2-(phenylsulfanyl)propanoate
TL;DR: Ethyl 3-phenyl-2-(phenylsulfanyl)propanoate (CAS 54532-94-4) is a chemical compound with molecular formula C17H18O2S and molecular weight 286.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-phenyl-2-phenylsulfanylpropanoate
Also Known As: ethyl 3-phenyl-2-(phenylsulfanyl)propanoate, NCIOpen2_004905, ethyl 3-phenyl-2-phenylsulfanylpropanoate, 3-Phenyl-2-(phenylthio)propionsaeureaethylester, 2-(Phenylthio)-3-phenylpropionic acid ethyl ester
| Molecular Formula | C17H18O2S |
|---|---|
| Molecular Weight | 286.10 g/mol |
| LogP | 4.7 |
| Topological Polar Surface Area | 51.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 286.10275 |
| Heavy Atoms | 20 |
| Complexity | 281.0 |
Chemical Identifiers
| CAS Number | 54532-94-4 |
|---|---|
| SMILES | CCOC(=O)C(CC1=CC=CC=C1)SC2=CC=CC=C2 |
| InChIKey | ZEHMOEIYIKKMDI-UHFFFAOYSA-N |
Product Overview
Ethyl 3-phenyl-2-(phenylsulfanyl)propanoate (CAS 54532-94-4), with molecular formula C17H18O2S and molecular weight 286.10 g/mol. IUPAC: ethyl 3-phenyl-2-phenylsulfanylpropanoate.
Chemical Property Profile of Ethyl 3-phenyl-2-(phenylsulfanyl)propanoate
Property Insights of Ethyl 3-phenyl-2-(phenylsulfanyl)propanoate
The XLogP value of 4.7 indicates that Ethyl 3-phenyl-2-(phenylsulfanyl)propanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.6 Ų, Ethyl 3-phenyl-2-(phenylsulfanyl)propanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 3-phenyl-2-(phenylsulfanyl)propanoate has 0 hydrogen bond donor(s) and 3 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 Ethyl 3-phenyl-2-(phenylsulfanyl)propanoate?
The CAS number of Ethyl 3-phenyl-2-(phenylsulfanyl)propanoate is 54532-94-4.
What is the molecular formula of Ethyl 3-phenyl-2-(phenylsulfanyl)propanoate?
The molecular formula of Ethyl 3-phenyl-2-(phenylsulfanyl)propanoate is C17H18O2S.
What is the molecular weight of Ethyl 3-phenyl-2-(phenylsulfanyl)propanoate?
The molecular weight of Ethyl 3-phenyl-2-(phenylsulfanyl)propanoate is 286.10 g/mol.
Where can I buy Ethyl 3-phenyl-2-(phenylsulfanyl)propanoate?
You can request a quote for Ethyl 3-phenyl-2-(phenylsulfanyl)propanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 3-phenyl-2-(phenylsulfanyl)propanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3-phenyl-2-(phenylsulfanyl)propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.