methyl 5-(4-bromophenyl)-1-(2-ethylphenyl)-2-methyl-1H-pyrrole-3-carboxylate
TL;DR: methyl 5-(4-bromophenyl)-1-(2-ethylphenyl)-2-methyl-1H-pyrrole-3-carboxylate (CAS 881040-07-9) is a chemical compound with molecular formula C21H20BrNO2 and molecular weight 397.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 5-(4-bromophenyl)-1-(2-ethylphenyl)-2-methylpyrrole-3-carboxylate
Also Known As: methyl 5-(4-bromophenyl)-1-(2-ethylphenyl)-2-methyl-1H-pyrrole-3-carboxylate, methyl 5-(4-bromophenyl)-1-(2-ethylphenyl)-2-methylpyrrole-3-carboxylate
| Molecular Formula | C21H20BrNO2 |
|---|---|
| Molecular Weight | 397.07 g/mol |
| LogP | 5.56422 |
| Topological Polar Surface Area | 31.23 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 397.06775 |
| Heavy Atoms | 25 |
| Complexity | 910.1455 |
Chemical Identifiers
| CAS Number | 881040-07-9 |
|---|---|
| SMILES | CCC1=CC=CC=C1N2C(=C(C=C2C3=CC=C(C=C3)Br)C(=O)OC)C |
Product Overview
methyl 5-(4-bromophenyl)-1-(2-ethylphenyl)-2-methyl-1H-pyrrole-3-carboxylate (CAS 881040-07-9), with molecular formula C21H20BrNO2 and molecular weight 397.07 g/mol. IUPAC: methyl 5-(4-bromophenyl)-1-(2-ethylphenyl)-2-methylpyrrole-3-carboxylate.
Chemical Property Profile of methyl 5-(4-bromophenyl)-1-(2-ethylphenyl)-2-methyl-1H-pyrrole-3-carboxylate
Property Insights of methyl 5-(4-bromophenyl)-1-(2-ethylphenyl)-2-methyl-1H-pyrrole-3-carboxylate
The XLogP value of 5.56422 indicates that methyl 5-(4-bromophenyl)-1-(2-ethylphenyl)-2-methyl-1H-pyrrole-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 31.23 Ų, methyl 5-(4-bromophenyl)-1-(2-ethylphenyl)-2-methyl-1H-pyrrole-3-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, methyl 5-(4-bromophenyl)-1-(2-ethylphenyl)-2-methyl-1H-pyrrole-3-carboxylate has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of methyl 5-(4-bromophenyl)-1-(2-ethylphenyl)-2-methyl-1H-pyrrole-3-carboxylate?
The CAS number of methyl 5-(4-bromophenyl)-1-(2-ethylphenyl)-2-methyl-1H-pyrrole-3-carboxylate is 881040-07-9.
What is the molecular formula of methyl 5-(4-bromophenyl)-1-(2-ethylphenyl)-2-methyl-1H-pyrrole-3-carboxylate?
The molecular formula of methyl 5-(4-bromophenyl)-1-(2-ethylphenyl)-2-methyl-1H-pyrrole-3-carboxylate is C21H20BrNO2.
What is the molecular weight of methyl 5-(4-bromophenyl)-1-(2-ethylphenyl)-2-methyl-1H-pyrrole-3-carboxylate?
The molecular weight of methyl 5-(4-bromophenyl)-1-(2-ethylphenyl)-2-methyl-1H-pyrrole-3-carboxylate is 397.07 g/mol.
Where can I buy methyl 5-(4-bromophenyl)-1-(2-ethylphenyl)-2-methyl-1H-pyrrole-3-carboxylate?
You can request a quote for methyl 5-(4-bromophenyl)-1-(2-ethylphenyl)-2-methyl-1H-pyrrole-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 5-(4-bromophenyl)-1-(2-ethylphenyl)-2-methyl-1H-pyrrole-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 5-(4-bromophenyl)-1-(2-ethylphenyl)-2-methyl-1H-pyrrole-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.