ethyl 3-(3-chlorophenyl)-3-(1H-pyrrol-1-yl)propanoate
TL;DR: ethyl 3-(3-chlorophenyl)-3-(1H-pyrrol-1-yl)propanoate (CAS 866040-56-4) is a chemical compound with molecular formula C15H16ClNO2 and molecular weight 277.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-(3-chlorophenyl)-3-pyrrol-1-ylpropanoate
Also Known As: ethyl 3-(3-chlorophenyl)-3-(1H-pyrrol-1-yl)propanoate, ethyl 3-(3-chlorophenyl)-3-pyrrol-1-ylpropanoate, 5W-0846, ethyl 3-(3-chlorophenyl)-3-pyrrol-1-yl-propanoate, ethyl3-(3-chlorophenyl)-3-(1H-pyrrol-1-yl)propanoate
| Molecular Formula | C15H16ClNO2 |
|---|---|
| Molecular Weight | 277.09 g/mol |
| LogP | 3.6841 |
| Topological Polar Surface Area | 31.23 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 277.08694 |
| Heavy Atoms | 19 |
| Complexity | 536.83844 |
Chemical Identifiers
| CAS Number | 866040-56-4 |
|---|---|
| SMILES | CCOC(=O)CC(C1=CC(=CC=C1)Cl)N2C=CC=C2 |
Product Overview
ethyl 3-(3-chlorophenyl)-3-(1H-pyrrol-1-yl)propanoate (CAS 866040-56-4), with molecular formula C15H16ClNO2 and molecular weight 277.09 g/mol. IUPAC: ethyl 3-(3-chlorophenyl)-3-pyrrol-1-ylpropanoate.
Chemical Property Profile of ethyl 3-(3-chlorophenyl)-3-(1H-pyrrol-1-yl)propanoate
Property Insights of ethyl 3-(3-chlorophenyl)-3-(1H-pyrrol-1-yl)propanoate
The XLogP value of 3.6841 indicates that ethyl 3-(3-chlorophenyl)-3-(1H-pyrrol-1-yl)propanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 31.23 Ų, ethyl 3-(3-chlorophenyl)-3-(1H-pyrrol-1-yl)propanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ethyl 3-(3-chlorophenyl)-3-(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 3-(3-chlorophenyl)-3-(1H-pyrrol-1-yl)propanoate?
The CAS number of ethyl 3-(3-chlorophenyl)-3-(1H-pyrrol-1-yl)propanoate is 866040-56-4.
What is the molecular formula of ethyl 3-(3-chlorophenyl)-3-(1H-pyrrol-1-yl)propanoate?
The molecular formula of ethyl 3-(3-chlorophenyl)-3-(1H-pyrrol-1-yl)propanoate is C15H16ClNO2.
What is the molecular weight of ethyl 3-(3-chlorophenyl)-3-(1H-pyrrol-1-yl)propanoate?
The molecular weight of ethyl 3-(3-chlorophenyl)-3-(1H-pyrrol-1-yl)propanoate is 277.09 g/mol.
Where can I buy ethyl 3-(3-chlorophenyl)-3-(1H-pyrrol-1-yl)propanoate?
You can request a quote for ethyl 3-(3-chlorophenyl)-3-(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 3-(3-chlorophenyl)-3-(1H-pyrrol-1-yl)propanoate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 3-(3-chlorophenyl)-3-(1H-pyrrol-1-yl)propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.