Methyl 2-phenylbenzofuran-3-carboxylate
TL;DR: Methyl 2-phenylbenzofuran-3-carboxylate (CAS 13448-97-0) is a chemical compound with molecular formula C16H12O3 and molecular weight 252.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-phenyl-1-benzofuran-3-carboxylate
Also Known As: Methyl 2-phenylbenzofuran-3-carboxylate, ICCB2_000341, methyl 2-phenyl-1-benzofuran-3-carboxylate, J1.219.399H, 2-phenyl-benzofuran-3-carboxylic acid methyl ester
| Molecular Formula | C16H12O3 |
|---|---|
| Molecular Weight | 252.08 g/mol |
| LogP | 3.8864 |
| Topological Polar Surface Area | 39.44 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 252.07864 |
| Heavy Atoms | 19 |
| Complexity | 726.0937 |
Chemical Identifiers
| CAS Number | 13448-97-0 |
|---|---|
| SMILES | COC(=O)C1=C(OC2=CC=CC=C21)C3=CC=CC=C3 |
Product Overview
Methyl 2-phenylbenzofuran-3-carboxylate (CAS 13448-97-0), with molecular formula C16H12O3 and molecular weight 252.08 g/mol. IUPAC: methyl 2-phenyl-1-benzofuran-3-carboxylate.
Chemical Property Profile of Methyl 2-phenylbenzofuran-3-carboxylate
Property Insights of Methyl 2-phenylbenzofuran-3-carboxylate
The XLogP value of 3.8864 indicates that Methyl 2-phenylbenzofuran-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 39.44 Ų, Methyl 2-phenylbenzofuran-3-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 2-phenylbenzofuran-3-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 2-phenylbenzofuran-3-carboxylate?
The CAS number of Methyl 2-phenylbenzofuran-3-carboxylate is 13448-97-0.
What is the molecular formula of Methyl 2-phenylbenzofuran-3-carboxylate?
The molecular formula of Methyl 2-phenylbenzofuran-3-carboxylate is C16H12O3.
What is the molecular weight of Methyl 2-phenylbenzofuran-3-carboxylate?
The molecular weight of Methyl 2-phenylbenzofuran-3-carboxylate is 252.08 g/mol.
Where can I buy Methyl 2-phenylbenzofuran-3-carboxylate?
You can request a quote for Methyl 2-phenylbenzofuran-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2-phenylbenzofuran-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-phenylbenzofuran-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.