methyl 1-(2-bromo-4-fluorophenyl)-5-(3,4-dimethylphenyl)-2-methyl-1H-pyrrole-3-carboxylate
TL;DR: methyl 1-(2-bromo-4-fluorophenyl)-5-(3,4-dimethylphenyl)-2-methyl-1H-pyrrole-3-carboxylate (CAS 881041-41-4) is a chemical compound with molecular formula C21H19BrFNO2 and molecular weight 415.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 1-(2-bromo-4-fluorophenyl)-5-(3,4-dimethylphenyl)-2-methylpyrrole-3-carboxylate
Also Known As: methyl 1-(2-bromo-4-fluorophenyl)-5-(3,4-dimethylphenyl)-2-methyl-1H-pyrrole-3-carboxylate, methyl 1-(2-bromo-4-fluorophenyl)-5-(3,4-dimethylphenyl)-2-methylpyrrole-3-carboxylate
| Molecular Formula | C21H19BrFNO2 |
|---|---|
| Molecular Weight | 415.06 g/mol |
| LogP | 5.75776 |
| Topological Polar Surface Area | 31.23 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 415.05832 |
| Heavy Atoms | 26 |
| Complexity | 1007.48596 |
Chemical Identifiers
| CAS Number | 881041-41-4 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)C2=CC(=C(N2C3=C(C=C(C=C3)F)Br)C)C(=O)OC)C |
Product Overview
methyl 1-(2-bromo-4-fluorophenyl)-5-(3,4-dimethylphenyl)-2-methyl-1H-pyrrole-3-carboxylate (CAS 881041-41-4), with molecular formula C21H19BrFNO2 and molecular weight 415.06 g/mol. IUPAC: methyl 1-(2-bromo-4-fluorophenyl)-5-(3,4-dimethylphenyl)-2-methylpyrrole-3-carboxylate.
Chemical Property Profile of methyl 1-(2-bromo-4-fluorophenyl)-5-(3,4-dimethylphenyl)-2-methyl-1H-pyrrole-3-carboxylate
Property Insights of methyl 1-(2-bromo-4-fluorophenyl)-5-(3,4-dimethylphenyl)-2-methyl-1H-pyrrole-3-carboxylate
The XLogP value of 5.75776 indicates that methyl 1-(2-bromo-4-fluorophenyl)-5-(3,4-dimethylphenyl)-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 1-(2-bromo-4-fluorophenyl)-5-(3,4-dimethylphenyl)-2-methyl-1H-pyrrole-3-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, methyl 1-(2-bromo-4-fluorophenyl)-5-(3,4-dimethylphenyl)-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 1-(2-bromo-4-fluorophenyl)-5-(3,4-dimethylphenyl)-2-methyl-1H-pyrrole-3-carboxylate?
The CAS number of methyl 1-(2-bromo-4-fluorophenyl)-5-(3,4-dimethylphenyl)-2-methyl-1H-pyrrole-3-carboxylate is 881041-41-4.
What is the molecular formula of methyl 1-(2-bromo-4-fluorophenyl)-5-(3,4-dimethylphenyl)-2-methyl-1H-pyrrole-3-carboxylate?
The molecular formula of methyl 1-(2-bromo-4-fluorophenyl)-5-(3,4-dimethylphenyl)-2-methyl-1H-pyrrole-3-carboxylate is C21H19BrFNO2.
What is the molecular weight of methyl 1-(2-bromo-4-fluorophenyl)-5-(3,4-dimethylphenyl)-2-methyl-1H-pyrrole-3-carboxylate?
The molecular weight of methyl 1-(2-bromo-4-fluorophenyl)-5-(3,4-dimethylphenyl)-2-methyl-1H-pyrrole-3-carboxylate is 415.06 g/mol.
Where can I buy methyl 1-(2-bromo-4-fluorophenyl)-5-(3,4-dimethylphenyl)-2-methyl-1H-pyrrole-3-carboxylate?
You can request a quote for methyl 1-(2-bromo-4-fluorophenyl)-5-(3,4-dimethylphenyl)-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 1-(2-bromo-4-fluorophenyl)-5-(3,4-dimethylphenyl)-2-methyl-1H-pyrrole-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 1-(2-bromo-4-fluorophenyl)-5-(3,4-dimethylphenyl)-2-methyl-1H-pyrrole-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.