Ethyl 3-(aminomethyl)-1-benzofuran-2-carboxylate
TL;DR: Ethyl 3-(aminomethyl)-1-benzofuran-2-carboxylate (CAS 38281-59-3) is a chemical compound with molecular formula C12H13NO3 and molecular weight 219.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-(aminomethyl)-1-benzofuran-2-carboxylate
Also Known As: ethyl 3-(aminomethyl)-1-benzofuran-2-carboxylate, ethyl 3-(aminomethyl)benzofuran-2-carboxylate, ethyl3-(aminomethyl)-1-benzofuran-2-carboxylate
| Molecular Formula | C12H13NO3 |
|---|---|
| Molecular Weight | 219.09 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 65.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 219.08954 |
| Heavy Atoms | 16 |
| Complexity | 257.0 |
Chemical Identifiers
| CAS Number | 38281-59-3 |
|---|---|
| SMILES | CCOC(=O)C1=C(C2=CC=CC=C2O1)CN |
| InChIKey | SWZMVJIGYDOJCN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl 3-(aminomethyl)-1-benzofuran-2-carboxylate (CAS 38281-59-3), with molecular formula C12H13NO3 and molecular weight 219.09 g/mol. IUPAC: ethyl 3-(aminomethyl)-1-benzofuran-2-carboxylate.
Chemical Property Profile of Ethyl 3-(aminomethyl)-1-benzofuran-2-carboxylate
Property Insights of Ethyl 3-(aminomethyl)-1-benzofuran-2-carboxylate
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 3-(aminomethyl)-1-benzofuran-2-carboxylate. The TPSA of 65.5 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 3-(aminomethyl)-1-benzofuran-2-carboxylate. Following Lipinski's Rule of Five, Ethyl 3-(aminomethyl)-1-benzofuran-2-carboxylate has 1 hydrogen bond donor(s) and 4 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 Ethyl 3-(aminomethyl)-1-benzofuran-2-carboxylate?
The CAS number of Ethyl 3-(aminomethyl)-1-benzofuran-2-carboxylate is 38281-59-3.
What is the molecular formula of Ethyl 3-(aminomethyl)-1-benzofuran-2-carboxylate?
The molecular formula of Ethyl 3-(aminomethyl)-1-benzofuran-2-carboxylate is C12H13NO3.
What is the molecular weight of Ethyl 3-(aminomethyl)-1-benzofuran-2-carboxylate?
The molecular weight of Ethyl 3-(aminomethyl)-1-benzofuran-2-carboxylate is 219.09 g/mol.
Where can I buy Ethyl 3-(aminomethyl)-1-benzofuran-2-carboxylate?
You can request a quote for Ethyl 3-(aminomethyl)-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 Ethyl 3-(aminomethyl)-1-benzofuran-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3-(aminomethyl)-1-benzofuran-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.