methyl 1-(4-bromophenyl)-1H-pyrrole-2-carboxylate
TL;DR: methyl 1-(4-bromophenyl)-1H-pyrrole-2-carboxylate (CAS 439094-83-4) is a chemical compound with molecular formula C12H10BrNO2 and molecular weight 278.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 1-(4-bromophenyl)pyrrole-2-carboxylate
Also Known As: methyl 1-(4-bromophenyl)-1H-pyrrole-2-carboxylate, Bionet2_001251, methyl 1-(4-bromophenyl)pyrrole-2-carboxylate, methyl1-(4-bromophenyl)-1H-pyrrole-2-carboxylate, 12R-0620
| Molecular Formula | C12H10BrNO2 |
|---|---|
| Molecular Weight | 278.99 g/mol |
| LogP | 3.0264 |
| Topological Polar Surface Area | 31.23 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 278.9895 |
| Heavy Atoms | 16 |
| Complexity | 501.99225 |
Chemical Identifiers
| CAS Number | 439094-83-4 |
|---|---|
| SMILES | COC(=O)C1=CC=CN1C2=CC=C(C=C2)Br |
Product Overview
methyl 1-(4-bromophenyl)-1H-pyrrole-2-carboxylate (CAS 439094-83-4), with molecular formula C12H10BrNO2 and molecular weight 278.99 g/mol. IUPAC: methyl 1-(4-bromophenyl)pyrrole-2-carboxylate.
Chemical Property Profile of methyl 1-(4-bromophenyl)-1H-pyrrole-2-carboxylate
Property Insights of methyl 1-(4-bromophenyl)-1H-pyrrole-2-carboxylate
The XLogP value of 3.0264 indicates that methyl 1-(4-bromophenyl)-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 31.23 Ų, methyl 1-(4-bromophenyl)-1H-pyrrole-2-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, methyl 1-(4-bromophenyl)-1H-pyrrole-2-carboxylate has 0 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 methyl 1-(4-bromophenyl)-1H-pyrrole-2-carboxylate?
The CAS number of methyl 1-(4-bromophenyl)-1H-pyrrole-2-carboxylate is 439094-83-4.
What is the molecular formula of methyl 1-(4-bromophenyl)-1H-pyrrole-2-carboxylate?
The molecular formula of methyl 1-(4-bromophenyl)-1H-pyrrole-2-carboxylate is C12H10BrNO2.
What is the molecular weight of methyl 1-(4-bromophenyl)-1H-pyrrole-2-carboxylate?
The molecular weight of methyl 1-(4-bromophenyl)-1H-pyrrole-2-carboxylate is 278.99 g/mol.
Where can I buy methyl 1-(4-bromophenyl)-1H-pyrrole-2-carboxylate?
You can request a quote for methyl 1-(4-bromophenyl)-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 methyl 1-(4-bromophenyl)-1H-pyrrole-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 1-(4-bromophenyl)-1H-pyrrole-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.