1H-Pyrrole-2-carboxylic acid, 5-ethyl-3-methyl-4-phenyl-, ethyl ester
TL;DR: 1H-Pyrrole-2-carboxylic acid, 5-ethyl-3-methyl-4-phenyl-, ethyl ester (CAS 89649-57-0) is a chemical compound with molecular formula C16H19NO2 and molecular weight 257.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5-ethyl-3-methyl-4-phenyl-1H-pyrrole-2-carboxylate
Also Known As: Ethyl 5-ethyl-3-methyl-4-phenyl-1H-pyrrole-2-carboxylate, 1H-Pyrrole-2-carboxylic acid, 5-ethyl-3-methyl-4-phenyl-, ethyl ester, ethyl 5-ethyl-3-methyl-4-phenyl-2-pyrrolecarboxylate, 5-Ethyl-3-methyl-4-phenyl-1H-pyrrole-2-carboxylic acid ethyl ester, InChI=1/C16H19NO2/c1-4-13-14(12-9-7-6-8-10-12)11(3)15(17-13)16(18)19-5-2/h6-10,17H,4-5H2,1-3H
| Molecular Formula | C16H19NO2 |
|---|---|
| Molecular Weight | 257.14 g/mol |
| LogP | 3.72922 |
| Topological Polar Surface Area | 42.09 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 257.14157 |
| Heavy Atoms | 19 |
| Complexity | 569.93494 |
Chemical Identifiers
| CAS Number | 89649-57-0 |
|---|---|
| SMILES | CCC1=C(C(=C(N1)C(=O)OCC)C)C2=CC=CC=C2 |
Product Overview
1H-Pyrrole-2-carboxylic acid, 5-ethyl-3-methyl-4-phenyl-, ethyl ester (CAS 89649-57-0), with molecular formula C16H19NO2 and molecular weight 257.14 g/mol. IUPAC: ethyl 5-ethyl-3-methyl-4-phenyl-1H-pyrrole-2-carboxylate.
Chemical Property Profile of 1H-Pyrrole-2-carboxylic acid, 5-ethyl-3-methyl-4-phenyl-, ethyl ester
Property Insights of 1H-Pyrrole-2-carboxylic acid, 5-ethyl-3-methyl-4-phenyl-, ethyl ester
The XLogP value of 3.72922 indicates that 1H-Pyrrole-2-carboxylic acid, 5-ethyl-3-methyl-4-phenyl-, ethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 42.09 Ų, 1H-Pyrrole-2-carboxylic acid, 5-ethyl-3-methyl-4-phenyl-, ethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1H-Pyrrole-2-carboxylic acid, 5-ethyl-3-methyl-4-phenyl-, ethyl ester 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 1H-Pyrrole-2-carboxylic acid, 5-ethyl-3-methyl-4-phenyl-, ethyl ester?
The CAS number of 1H-Pyrrole-2-carboxylic acid, 5-ethyl-3-methyl-4-phenyl-, ethyl ester is 89649-57-0.
What is the molecular formula of 1H-Pyrrole-2-carboxylic acid, 5-ethyl-3-methyl-4-phenyl-, ethyl ester?
The molecular formula of 1H-Pyrrole-2-carboxylic acid, 5-ethyl-3-methyl-4-phenyl-, ethyl ester is C16H19NO2.
What is the molecular weight of 1H-Pyrrole-2-carboxylic acid, 5-ethyl-3-methyl-4-phenyl-, ethyl ester?
The molecular weight of 1H-Pyrrole-2-carboxylic acid, 5-ethyl-3-methyl-4-phenyl-, ethyl ester is 257.14 g/mol.
Where can I buy 1H-Pyrrole-2-carboxylic acid, 5-ethyl-3-methyl-4-phenyl-, ethyl ester?
You can request a quote for 1H-Pyrrole-2-carboxylic acid, 5-ethyl-3-methyl-4-phenyl-, ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-Pyrrole-2-carboxylic acid, 5-ethyl-3-methyl-4-phenyl-, ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 1H-Pyrrole-2-carboxylic acid, 5-ethyl-3-methyl-4-phenyl-, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.