methyl 4,5-dibromo-1H-pyrrole-2-carboxylate
TL;DR: methyl 4,5-dibromo-1H-pyrrole-2-carboxylate (CAS 650140-84-4) is a chemical compound with molecular formula C6H5Br2NO2 and molecular weight 280.87 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4,5-dibromo-1H-pyrrole-2-carboxylate
Also Known As: methyl 4,5-dibromo-1H-pyrrole-2-carboxylate, methyldibromopyrrolecarboxylate, 3,5-Dibromo-4-methoxypyridine 1-oxide, methyl 4,5-dibromopyrrole-2-carboxylate, 4,5-Dibromo-2-(methoxycarbonyl)-1H-pyrrole
| Molecular Formula | C6H5Br2NO2 |
|---|---|
| Molecular Weight | 280.87 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 42.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 280.8687 |
| Heavy Atoms | 11 |
| Complexity | 165.0 |
Chemical Identifiers
| CAS Number | 650140-84-4 |
|---|---|
| SMILES | COC(=O)C1=CC(=C(N1)Br)Br |
| InChIKey | ISQWCRSAYRXYRS-UHFFFAOYSA-N |
Product Overview
methyl 4,5-dibromo-1H-pyrrole-2-carboxylate (CAS 650140-84-4), with molecular formula C6H5Br2NO2 and molecular weight 280.87 g/mol. IUPAC: methyl 4,5-dibromo-1H-pyrrole-2-carboxylate.
Chemical Property Profile of methyl 4,5-dibromo-1H-pyrrole-2-carboxylate
Property Insights of methyl 4,5-dibromo-1H-pyrrole-2-carboxylate
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 4,5-dibromo-1H-pyrrole-2-carboxylate. With a topological polar surface area (TPSA) of 42.1 Ų, methyl 4,5-dibromo-1H-pyrrole-2-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, methyl 4,5-dibromo-1H-pyrrole-2-carboxylate has 1 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 4,5-dibromo-1H-pyrrole-2-carboxylate?
The CAS number of methyl 4,5-dibromo-1H-pyrrole-2-carboxylate is 650140-84-4.
What is the molecular formula of methyl 4,5-dibromo-1H-pyrrole-2-carboxylate?
The molecular formula of methyl 4,5-dibromo-1H-pyrrole-2-carboxylate is C6H5Br2NO2.
What is the molecular weight of methyl 4,5-dibromo-1H-pyrrole-2-carboxylate?
The molecular weight of methyl 4,5-dibromo-1H-pyrrole-2-carboxylate is 280.87 g/mol.
Where can I buy methyl 4,5-dibromo-1H-pyrrole-2-carboxylate?
You can request a quote for methyl 4,5-dibromo-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 4,5-dibromo-1H-pyrrole-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 4,5-dibromo-1H-pyrrole-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.