1-(3-bromophenyl)-2,5-dimethyl-1H-pyrrole
TL;DR: 1-(3-bromophenyl)-2,5-dimethyl-1H-pyrrole (CAS 127257-87-8) is a chemical compound with molecular formula C12H12BrN and molecular weight 249.0153 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(3-bromophenyl)-2,5-dimethylpyrrole
Also Known As: 1-(3-bromophenyl)-2,5-dimethyl-1H-pyrrole, 1-(3-bromophenyl)-2,5-dimethylpyrrole, 1H-Pyrrole, 1-(3-bromophenyl)-2,5-dimethyl-, 1-(3-bromo-phenyl)-2,5-dimethyl-pyrrole, 1-(3-bromophenyl)-2,5-dimethyl-pyrrole
Technical Specifications
| Molecular Formula | C12H12BrN |
| Molecular Weight | 249.0153 g/mol |
| XLogP | 3.8 |
| Topological Polar Surface Area (TPSA) | 4.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 1 |
| Exact Mass | 249.0153 Da |
| Heavy Atoms | 14 |
| Complexity | 185.0 |
| SMILES | CC1=CC=C(N1C2=CC(=CC=C2)Br)C |
| InChIKey | DRFJJKOQBRMRCL-UHFFFAOYSA-N |
Chemical Property Profile of 1-(3-bromophenyl)-2,5-dimethyl-1H-pyrrole
Property Insights of 1-(3-bromophenyl)-2,5-dimethyl-1H-pyrrole
The XLogP value of 3.8 indicates that 1-(3-bromophenyl)-2,5-dimethyl-1H-pyrrole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 4.9 Ų, 1-(3-bromophenyl)-2,5-dimethyl-1H-pyrrole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(3-bromophenyl)-2,5-dimethyl-1H-pyrrole has 0 hydrogen bond donor(s) and 0 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 1-(3-bromophenyl)-2,5-dimethyl-1H-pyrrole?
The CAS number of 1-(3-bromophenyl)-2,5-dimethyl-1H-pyrrole is 127257-87-8.
What is the molecular formula of 1-(3-bromophenyl)-2,5-dimethyl-1H-pyrrole?
The molecular formula of 1-(3-bromophenyl)-2,5-dimethyl-1H-pyrrole is C12H12BrN.
What is the molecular weight of 1-(3-bromophenyl)-2,5-dimethyl-1H-pyrrole?
The molecular weight of 1-(3-bromophenyl)-2,5-dimethyl-1H-pyrrole is 249.0153 g/mol.
Where can I buy 1-(3-bromophenyl)-2,5-dimethyl-1H-pyrrole?
You can request a quote for 1-(3-bromophenyl)-2,5-dimethyl-1H-pyrrole directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-(3-bromophenyl)-2,5-dimethyl-1H-pyrrole?
Yes, CoreyChem provides custom synthesis services for 1-(3-bromophenyl)-2,5-dimethyl-1H-pyrrole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.