ethyl 3,5-diphenyl-1H-pyrrole-2-carboxylate
TL;DR: ethyl 3,5-diphenyl-1H-pyrrole-2-carboxylate (CAS 5399-36-0) is a chemical compound with molecular formula C19H17NO2 and molecular weight 291.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3,5-diphenyl-1H-pyrrole-2-carboxylate
Also Known As: ethyl 3,5-diphenyl-1H-pyrrole-2-carboxylate, 3,5-diphenyl-1H-pyrrole-2-carboxylic acid ethyl ester, Ethyl-3,5-diphenyl-pyrrole-2-carboxylate, 3,5-diphenyl pyrrole-2-carboxylate d'ethyle, 1H-Pyrrole-2-carboxylicacid, 3,5-diphenyl-, ethyl ester
| Molecular Formula | C19H17NO2 |
|---|---|
| Molecular Weight | 291.13 g/mol |
| LogP | 4.6 |
| Topological Polar Surface Area | 42.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 291.12592 |
| Heavy Atoms | 22 |
| Complexity | 358.0 |
Chemical Identifiers
| CAS Number | 5399-36-0 |
|---|---|
| SMILES | CCOC(=O)C1=C(C=C(N1)C2=CC=CC=C2)C3=CC=CC=C3 |
| InChIKey | OPRCJRJTAKMETH-UHFFFAOYSA-N |
Product Overview
ethyl 3,5-diphenyl-1H-pyrrole-2-carboxylate (CAS 5399-36-0), with molecular formula C19H17NO2 and molecular weight 291.13 g/mol. IUPAC: ethyl 3,5-diphenyl-1H-pyrrole-2-carboxylate.
Chemical Property Profile of ethyl 3,5-diphenyl-1H-pyrrole-2-carboxylate
Property Insights of ethyl 3,5-diphenyl-1H-pyrrole-2-carboxylate
The XLogP value of 4.6 indicates that ethyl 3,5-diphenyl-1H-pyrrole-2-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 42.1 Ų, ethyl 3,5-diphenyl-1H-pyrrole-2-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ethyl 3,5-diphenyl-1H-pyrrole-2-carboxylate has 1 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 3,5-diphenyl-1H-pyrrole-2-carboxylate?
The CAS number of ethyl 3,5-diphenyl-1H-pyrrole-2-carboxylate is 5399-36-0.
What is the molecular formula of ethyl 3,5-diphenyl-1H-pyrrole-2-carboxylate?
The molecular formula of ethyl 3,5-diphenyl-1H-pyrrole-2-carboxylate is C19H17NO2.
What is the molecular weight of ethyl 3,5-diphenyl-1H-pyrrole-2-carboxylate?
The molecular weight of ethyl 3,5-diphenyl-1H-pyrrole-2-carboxylate is 291.13 g/mol.
Where can I buy ethyl 3,5-diphenyl-1H-pyrrole-2-carboxylate?
You can request a quote for ethyl 3,5-diphenyl-1H-pyrrole-2-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 3,5-diphenyl-1H-pyrrole-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 3,5-diphenyl-1H-pyrrole-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.