methyl 5-bromo-2-methoxy-4-(1H-pyrrol-1-yl)benzenecarboxylate
TL;DR: methyl 5-bromo-2-methoxy-4-(1H-pyrrol-1-yl)benzenecarboxylate (CAS 861206-27-1) is a chemical compound with molecular formula C13H12BrNO3 and molecular weight 309.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 5-bromo-2-methoxy-4-pyrrol-1-ylbenzoate
Also Known As: Bionet2_001309, methyl 5-bromo-2-methoxy-4-(1H-pyrrol-1-yl)benzenecarboxylate, methyl 5-bromo-2-methoxy-4-(1H-pyrrol-1-yl)benzoate, methyl 5-bromo-2-methoxy-4-pyrrol-1-ylbenzoate, 1W-0878
| Molecular Formula | C13H12BrNO3 |
|---|---|
| Molecular Weight | 309.00 g/mol |
| LogP | 3.035 |
| Topological Polar Surface Area | 40.46 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 309.00006 |
| Heavy Atoms | 18 |
| Complexity | 563.86536 |
Chemical Identifiers
| CAS Number | 861206-27-1 |
|---|---|
| SMILES | COC1=CC(=C(C=C1C(=O)OC)Br)N2C=CC=C2 |
Product Overview
methyl 5-bromo-2-methoxy-4-(1H-pyrrol-1-yl)benzenecarboxylate (CAS 861206-27-1), with molecular formula C13H12BrNO3 and molecular weight 309.00 g/mol. IUPAC: methyl 5-bromo-2-methoxy-4-pyrrol-1-ylbenzoate.
Chemical Property Profile of methyl 5-bromo-2-methoxy-4-(1H-pyrrol-1-yl)benzenecarboxylate
Property Insights of methyl 5-bromo-2-methoxy-4-(1H-pyrrol-1-yl)benzenecarboxylate
The XLogP value of 3.035 indicates that methyl 5-bromo-2-methoxy-4-(1H-pyrrol-1-yl)benzenecarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.46 Ų, methyl 5-bromo-2-methoxy-4-(1H-pyrrol-1-yl)benzenecarboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, methyl 5-bromo-2-methoxy-4-(1H-pyrrol-1-yl)benzenecarboxylate has 0 hydrogen bond donor(s) and 3 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 5-bromo-2-methoxy-4-(1H-pyrrol-1-yl)benzenecarboxylate?
The CAS number of methyl 5-bromo-2-methoxy-4-(1H-pyrrol-1-yl)benzenecarboxylate is 861206-27-1.
What is the molecular formula of methyl 5-bromo-2-methoxy-4-(1H-pyrrol-1-yl)benzenecarboxylate?
The molecular formula of methyl 5-bromo-2-methoxy-4-(1H-pyrrol-1-yl)benzenecarboxylate is C13H12BrNO3.
What is the molecular weight of methyl 5-bromo-2-methoxy-4-(1H-pyrrol-1-yl)benzenecarboxylate?
The molecular weight of methyl 5-bromo-2-methoxy-4-(1H-pyrrol-1-yl)benzenecarboxylate is 309.00 g/mol.
Where can I buy methyl 5-bromo-2-methoxy-4-(1H-pyrrol-1-yl)benzenecarboxylate?
You can request a quote for methyl 5-bromo-2-methoxy-4-(1H-pyrrol-1-yl)benzenecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 5-bromo-2-methoxy-4-(1H-pyrrol-1-yl)benzenecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 5-bromo-2-methoxy-4-(1H-pyrrol-1-yl)benzenecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.