methyl 3-(4-bromophenyl)-3-(1H-pyrrol-1-yl)propanoate
TL;DR: methyl 3-(4-bromophenyl)-3-(1H-pyrrol-1-yl)propanoate (CAS 439094-24-3) is a chemical compound with molecular formula C14H14BrNO2 and molecular weight 307.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-(4-bromophenyl)-3-pyrrol-1-ylpropanoate
Also Known As: Bionet2_001163, methyl 3-(4-bromophenyl)-3-(1H-pyrrol-1-yl)propanoate, methyl 3-(4-bromophenyl)-3-pyrrol-1-ylpropanoate, 11R-0633, methyl 3-(4-bromophenyl)-3-pyrrol-1-yl-propanoate
| Molecular Formula | C14H14BrNO2 |
|---|---|
| Molecular Weight | 307.02 g/mol |
| LogP | 3.4031 |
| Topological Polar Surface Area | 31.23 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 307.02078 |
| Heavy Atoms | 18 |
| Complexity | 505.10007 |
Chemical Identifiers
| CAS Number | 439094-24-3 |
|---|---|
| SMILES | COC(=O)CC(C1=CC=C(C=C1)Br)N2C=CC=C2 |
Product Overview
methyl 3-(4-bromophenyl)-3-(1H-pyrrol-1-yl)propanoate (CAS 439094-24-3), with molecular formula C14H14BrNO2 and molecular weight 307.02 g/mol. IUPAC: methyl 3-(4-bromophenyl)-3-pyrrol-1-ylpropanoate.
Chemical Property Profile of methyl 3-(4-bromophenyl)-3-(1H-pyrrol-1-yl)propanoate
Property Insights of methyl 3-(4-bromophenyl)-3-(1H-pyrrol-1-yl)propanoate
The XLogP value of 3.4031 indicates that methyl 3-(4-bromophenyl)-3-(1H-pyrrol-1-yl)propanoate 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 3-(4-bromophenyl)-3-(1H-pyrrol-1-yl)propanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, methyl 3-(4-bromophenyl)-3-(1H-pyrrol-1-yl)propanoate 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 3-(4-bromophenyl)-3-(1H-pyrrol-1-yl)propanoate?
The CAS number of methyl 3-(4-bromophenyl)-3-(1H-pyrrol-1-yl)propanoate is 439094-24-3.
What is the molecular formula of methyl 3-(4-bromophenyl)-3-(1H-pyrrol-1-yl)propanoate?
The molecular formula of methyl 3-(4-bromophenyl)-3-(1H-pyrrol-1-yl)propanoate is C14H14BrNO2.
What is the molecular weight of methyl 3-(4-bromophenyl)-3-(1H-pyrrol-1-yl)propanoate?
The molecular weight of methyl 3-(4-bromophenyl)-3-(1H-pyrrol-1-yl)propanoate is 307.02 g/mol.
Where can I buy methyl 3-(4-bromophenyl)-3-(1H-pyrrol-1-yl)propanoate?
You can request a quote for methyl 3-(4-bromophenyl)-3-(1H-pyrrol-1-yl)propanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 3-(4-bromophenyl)-3-(1H-pyrrol-1-yl)propanoate?
Yes, KEHONG BIO provides custom synthesis services for methyl 3-(4-bromophenyl)-3-(1H-pyrrol-1-yl)propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.