ethyl 4-methyl-3-(4-phenylmethoxyphenyl)-1H-pyrrole-2-carboxylate
TL;DR: ethyl 4-methyl-3-(4-phenylmethoxyphenyl)-1H-pyrrole-2-carboxylate (CAS 100780-40-3) is a chemical compound with molecular formula C21H21NO3 and molecular weight 335.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-methyl-3-(4-phenylmethoxyphenyl)-1H-pyrrole-2-carboxylate
Also Known As: Ethyl 3-(p-benzyloxy-phenyl)-4-methylpyrrole-2-carboxylate, ethyl 3-[4-(benzyloxy)phenyl]-4-methyl-1H-pyrrole-2-carboxylate, ethyl 4-methyl-3-(4-phenylmethoxyphenyl)-1H-pyrrole-2-carboxylate, 3-(4-Benzyloxy-phenyl)-4-methyl-1H-pyrrole-2-carboxylic acid ethyl ester
| Molecular Formula | C21H21NO3 |
|---|---|
| Molecular Weight | 335.15 g/mol |
| LogP | 4.7 |
| Topological Polar Surface Area | 51.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 335.15213 |
| Heavy Atoms | 25 |
| Complexity | 413.0 |
Chemical Identifiers
| CAS Number | 100780-40-3 |
|---|---|
| SMILES | CCOC(=O)C1=C(C(=CN1)C)C2=CC=C(C=C2)OCC3=CC=CC=C3 |
| InChIKey | GCXRLQZNZYWFDZ-UHFFFAOYSA-N |
Product Overview
ethyl 4-methyl-3-(4-phenylmethoxyphenyl)-1H-pyrrole-2-carboxylate (CAS 100780-40-3), with molecular formula C21H21NO3 and molecular weight 335.15 g/mol. IUPAC: ethyl 4-methyl-3-(4-phenylmethoxyphenyl)-1H-pyrrole-2-carboxylate.
Chemical Property Profile of ethyl 4-methyl-3-(4-phenylmethoxyphenyl)-1H-pyrrole-2-carboxylate
Property Insights of ethyl 4-methyl-3-(4-phenylmethoxyphenyl)-1H-pyrrole-2-carboxylate
The XLogP value of 4.7 indicates that ethyl 4-methyl-3-(4-phenylmethoxyphenyl)-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 51.3 Ų, ethyl 4-methyl-3-(4-phenylmethoxyphenyl)-1H-pyrrole-2-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ethyl 4-methyl-3-(4-phenylmethoxyphenyl)-1H-pyrrole-2-carboxylate has 1 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 4-methyl-3-(4-phenylmethoxyphenyl)-1H-pyrrole-2-carboxylate?
The CAS number of ethyl 4-methyl-3-(4-phenylmethoxyphenyl)-1H-pyrrole-2-carboxylate is 100780-40-3.
What is the molecular formula of ethyl 4-methyl-3-(4-phenylmethoxyphenyl)-1H-pyrrole-2-carboxylate?
The molecular formula of ethyl 4-methyl-3-(4-phenylmethoxyphenyl)-1H-pyrrole-2-carboxylate is C21H21NO3.
What is the molecular weight of ethyl 4-methyl-3-(4-phenylmethoxyphenyl)-1H-pyrrole-2-carboxylate?
The molecular weight of ethyl 4-methyl-3-(4-phenylmethoxyphenyl)-1H-pyrrole-2-carboxylate is 335.15 g/mol.
Where can I buy ethyl 4-methyl-3-(4-phenylmethoxyphenyl)-1H-pyrrole-2-carboxylate?
You can request a quote for ethyl 4-methyl-3-(4-phenylmethoxyphenyl)-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 4-methyl-3-(4-phenylmethoxyphenyl)-1H-pyrrole-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 4-methyl-3-(4-phenylmethoxyphenyl)-1H-pyrrole-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.