Ethyl 4-(azepan-1-ylmethyl)-5-hydroxy-2-phenyl-1-benzofuran-3-carboxylate
TL;DR: Ethyl 4-(azepan-1-ylmethyl)-5-hydroxy-2-phenyl-1-benzofuran-3-carboxylate (CAS 300556-97-2) is a chemical compound with molecular formula C24H27NO4 and molecular weight 393.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-(azepan-1-ylmethyl)-5-hydroxy-2-phenyl-1-benzofuran-3-carboxylate
Also Known As: ethyl 4-(azepan-1-ylmethyl)-5-hydroxy-2-phenyl-1-benzofuran-3-carboxylate, ethyl 4-(azepan-1-ylmethyl)-5-hydroxy-2-phenyl-benzofuran-3-carboxylate, ethyl 4-(azepan-1-ylmethyl)-5-hydroxy-2-phenylbenzofuran-3-carboxylate, 4-(azepan-1-ium-1-ylmethyl)-3-ethoxycarbonyl-2-phenyl-1-benzofuran-5-olate, ethyl 4-(azaperhydroepinylmethyl)-5-hydroxy-2-phenylbenzo[b]furan-3-carboxylat e
| Molecular Formula | C24H27NO4 |
|---|---|
| Molecular Weight | 393.19 g/mol |
| LogP | 5.3581 |
| Topological Polar Surface Area | 62.91 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 393.194 |
| Heavy Atoms | 29 |
| Complexity | 985.0333 |
Chemical Identifiers
| CAS Number | 300556-97-2 |
|---|---|
| SMILES | CCOC(=O)C1=C(OC2=C1C(=C(C=C2)O)CN3CCCCCC3)C4=CC=CC=C4 |
Product Overview
Ethyl 4-(azepan-1-ylmethyl)-5-hydroxy-2-phenyl-1-benzofuran-3-carboxylate (CAS 300556-97-2), with molecular formula C24H27NO4 and molecular weight 393.19 g/mol. IUPAC: ethyl 4-(azepan-1-ylmethyl)-5-hydroxy-2-phenyl-1-benzofuran-3-carboxylate.
Chemical Property Profile of Ethyl 4-(azepan-1-ylmethyl)-5-hydroxy-2-phenyl-1-benzofuran-3-carboxylate
Property Insights of Ethyl 4-(azepan-1-ylmethyl)-5-hydroxy-2-phenyl-1-benzofuran-3-carboxylate
The XLogP value of 5.3581 indicates that Ethyl 4-(azepan-1-ylmethyl)-5-hydroxy-2-phenyl-1-benzofuran-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.91 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 4-(azepan-1-ylmethyl)-5-hydroxy-2-phenyl-1-benzofuran-3-carboxylate. Following Lipinski's Rule of Five, Ethyl 4-(azepan-1-ylmethyl)-5-hydroxy-2-phenyl-1-benzofuran-3-carboxylate has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Ethyl 4-(azepan-1-ylmethyl)-5-hydroxy-2-phenyl-1-benzofuran-3-carboxylate?
The CAS number of Ethyl 4-(azepan-1-ylmethyl)-5-hydroxy-2-phenyl-1-benzofuran-3-carboxylate is 300556-97-2.
What is the molecular formula of Ethyl 4-(azepan-1-ylmethyl)-5-hydroxy-2-phenyl-1-benzofuran-3-carboxylate?
The molecular formula of Ethyl 4-(azepan-1-ylmethyl)-5-hydroxy-2-phenyl-1-benzofuran-3-carboxylate is C24H27NO4.
What is the molecular weight of Ethyl 4-(azepan-1-ylmethyl)-5-hydroxy-2-phenyl-1-benzofuran-3-carboxylate?
The molecular weight of Ethyl 4-(azepan-1-ylmethyl)-5-hydroxy-2-phenyl-1-benzofuran-3-carboxylate is 393.19 g/mol.
Where can I buy Ethyl 4-(azepan-1-ylmethyl)-5-hydroxy-2-phenyl-1-benzofuran-3-carboxylate?
You can request a quote for Ethyl 4-(azepan-1-ylmethyl)-5-hydroxy-2-phenyl-1-benzofuran-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 4-(azepan-1-ylmethyl)-5-hydroxy-2-phenyl-1-benzofuran-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-(azepan-1-ylmethyl)-5-hydroxy-2-phenyl-1-benzofuran-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.