methyl 3-(1H-pyrrol-1-yl)-1-benzofuran-2-carboxylate
TL;DR: methyl 3-(1H-pyrrol-1-yl)-1-benzofuran-2-carboxylate (CAS 57805-87-5) is a chemical compound with molecular formula C14H11NO3 and molecular weight 241.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-pyrrol-1-yl-1-benzofuran-2-carboxylate
Also Known As: methyl 3-(1H-pyrrol-1-yl)-1-benzofuran-2-carboxylate, Bionet2_001394, 2-carbomethoxy-3-(1-pyrryl)benzofuran, methyl 3-pyrrol-1-yl-1-benzofuran-2-carboxylate, methyl 3-pyrrolylbenzo[d]furan-2-carboxylate
| Molecular Formula | C14H11NO3 |
|---|---|
| Molecular Weight | 241.07 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 44.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 241.0739 |
| Heavy Atoms | 18 |
| Complexity | 314.0 |
Chemical Identifiers
| CAS Number | 57805-87-5 |
|---|---|
| SMILES | COC(=O)C1=C(C2=CC=CC=C2O1)N3C=CC=C3 |
| InChIKey | ASMBCBYDOVFEBD-UHFFFAOYSA-N |
Product Overview
methyl 3-(1H-pyrrol-1-yl)-1-benzofuran-2-carboxylate (CAS 57805-87-5), with molecular formula C14H11NO3 and molecular weight 241.07 g/mol. IUPAC: methyl 3-pyrrol-1-yl-1-benzofuran-2-carboxylate.
Chemical Property Profile of methyl 3-(1H-pyrrol-1-yl)-1-benzofuran-2-carboxylate
Property Insights of methyl 3-(1H-pyrrol-1-yl)-1-benzofuran-2-carboxylate
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 3-(1H-pyrrol-1-yl)-1-benzofuran-2-carboxylate. With a topological polar surface area (TPSA) of 44.4 Ų, methyl 3-(1H-pyrrol-1-yl)-1-benzofuran-2-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, methyl 3-(1H-pyrrol-1-yl)-1-benzofuran-2-carboxylate 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 3-(1H-pyrrol-1-yl)-1-benzofuran-2-carboxylate?
The CAS number of methyl 3-(1H-pyrrol-1-yl)-1-benzofuran-2-carboxylate is 57805-87-5.
What is the molecular formula of methyl 3-(1H-pyrrol-1-yl)-1-benzofuran-2-carboxylate?
The molecular formula of methyl 3-(1H-pyrrol-1-yl)-1-benzofuran-2-carboxylate is C14H11NO3.
What is the molecular weight of methyl 3-(1H-pyrrol-1-yl)-1-benzofuran-2-carboxylate?
The molecular weight of methyl 3-(1H-pyrrol-1-yl)-1-benzofuran-2-carboxylate is 241.07 g/mol.
Where can I buy methyl 3-(1H-pyrrol-1-yl)-1-benzofuran-2-carboxylate?
You can request a quote for methyl 3-(1H-pyrrol-1-yl)-1-benzofuran-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 3-(1H-pyrrol-1-yl)-1-benzofuran-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 3-(1H-pyrrol-1-yl)-1-benzofuran-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.