Ethyl (2S)-3-phenyl-2-(1H-pyrrol-1-YL)propanoate
TL;DR: Ethyl (2S)-3-phenyl-2-(1H-pyrrol-1-YL)propanoate (CAS 501031-00-1) is a chemical compound with molecular formula C15H17NO2 and molecular weight 243.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl (2S)-3-phenyl-2-pyrrol-1-ylpropanoate
Also Known As: ETHYL (2S)-3-PHENYL-2-(1H-PYRROL-1-YL)PROPANOATE, ethyl (2S)-3-phenyl-2-pyrrol-1-ylpropanoate, J2.438.875A, ethyl (2R)-3-phenyl-2-pyrrol-1-ylpropanoate, (2S)-2-(1-Pyrrolyl)-3-phenylpropionic acid ethyl ester
| Molecular Formula | C15H17NO2 |
|---|---|
| Molecular Weight | 243.13 g/mol |
| LogP | 2.835 |
| Topological Polar Surface Area | 31.23 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 243.12593 |
| Heavy Atoms | 18 |
| Complexity | 476.4594 |
Chemical Identifiers
| CAS Number | 501031-00-1 |
|---|---|
| SMILES | CCOC(=O)[C@H](CC1=CC=CC=C1)N2C=CC=C2 |
Product Overview
Ethyl (2S)-3-phenyl-2-(1H-pyrrol-1-YL)propanoate (CAS 501031-00-1), with molecular formula C15H17NO2 and molecular weight 243.13 g/mol. IUPAC: ethyl (2S)-3-phenyl-2-pyrrol-1-ylpropanoate.
Chemical Property Profile of Ethyl (2S)-3-phenyl-2-(1H-pyrrol-1-YL)propanoate
Property Insights of Ethyl (2S)-3-phenyl-2-(1H-pyrrol-1-YL)propanoate
The XLogP value of 2.835 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl (2S)-3-phenyl-2-(1H-pyrrol-1-YL)propanoate. With a topological polar surface area (TPSA) of 31.23 Ų, Ethyl (2S)-3-phenyl-2-(1H-pyrrol-1-YL)propanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl (2S)-3-phenyl-2-(1H-pyrrol-1-YL)propanoate has 0 hydrogen bond donor(s) and 2 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 (2S)-3-phenyl-2-(1H-pyrrol-1-YL)propanoate?
The CAS number of Ethyl (2S)-3-phenyl-2-(1H-pyrrol-1-YL)propanoate is 501031-00-1.
What is the molecular formula of Ethyl (2S)-3-phenyl-2-(1H-pyrrol-1-YL)propanoate?
The molecular formula of Ethyl (2S)-3-phenyl-2-(1H-pyrrol-1-YL)propanoate is C15H17NO2.
What is the molecular weight of Ethyl (2S)-3-phenyl-2-(1H-pyrrol-1-YL)propanoate?
The molecular weight of Ethyl (2S)-3-phenyl-2-(1H-pyrrol-1-YL)propanoate is 243.13 g/mol.
Where can I buy Ethyl (2S)-3-phenyl-2-(1H-pyrrol-1-YL)propanoate?
You can request a quote for Ethyl (2S)-3-phenyl-2-(1H-pyrrol-1-YL)propanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl (2S)-3-phenyl-2-(1H-pyrrol-1-YL)propanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl (2S)-3-phenyl-2-(1H-pyrrol-1-YL)propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.