Ethyl 5-(cyanomethyl)-3-methyl-1-benzofuran-2-carboxylate
TL;DR: Ethyl 5-(cyanomethyl)-3-methyl-1-benzofuran-2-carboxylate (CAS 64249-97-4) is a chemical compound with molecular formula C14H13NO3 and molecular weight 243.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5-(cyanomethyl)-3-methyl-1-benzofuran-2-carboxylate
Also Known As: ethyl 5-(cyanomethyl)-3-methyl-1-benzofuran-2-carboxylate, AB01323609-02, ethyl 5-(cyanomethyl)-3-methylbenzofuran-2-carboxylate
| Molecular Formula | C14H13NO3 |
|---|---|
| Molecular Weight | 243.09 g/mol |
| LogP | 2.984 |
| Topological Polar Surface Area | 63.23 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 243.08954 |
| Heavy Atoms | 18 |
| Complexity | 634.2619 |
Chemical Identifiers
| CAS Number | 64249-97-4 |
|---|---|
| SMILES | CCOC(=O)C1=C(C2=C(O1)C=CC(=C2)CC#N)C |
Product Overview
Ethyl 5-(cyanomethyl)-3-methyl-1-benzofuran-2-carboxylate (CAS 64249-97-4), with molecular formula C14H13NO3 and molecular weight 243.09 g/mol. IUPAC: ethyl 5-(cyanomethyl)-3-methyl-1-benzofuran-2-carboxylate.
Chemical Property Profile of Ethyl 5-(cyanomethyl)-3-methyl-1-benzofuran-2-carboxylate
Property Insights of Ethyl 5-(cyanomethyl)-3-methyl-1-benzofuran-2-carboxylate
The XLogP value of 2.984 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 5-(cyanomethyl)-3-methyl-1-benzofuran-2-carboxylate. The TPSA of 63.23 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 5-(cyanomethyl)-3-methyl-1-benzofuran-2-carboxylate. Following Lipinski's Rule of Five, Ethyl 5-(cyanomethyl)-3-methyl-1-benzofuran-2-carboxylate has 0 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 5-(cyanomethyl)-3-methyl-1-benzofuran-2-carboxylate?
The CAS number of Ethyl 5-(cyanomethyl)-3-methyl-1-benzofuran-2-carboxylate is 64249-97-4.
What is the molecular formula of Ethyl 5-(cyanomethyl)-3-methyl-1-benzofuran-2-carboxylate?
The molecular formula of Ethyl 5-(cyanomethyl)-3-methyl-1-benzofuran-2-carboxylate is C14H13NO3.
What is the molecular weight of Ethyl 5-(cyanomethyl)-3-methyl-1-benzofuran-2-carboxylate?
The molecular weight of Ethyl 5-(cyanomethyl)-3-methyl-1-benzofuran-2-carboxylate is 243.09 g/mol.
Where can I buy Ethyl 5-(cyanomethyl)-3-methyl-1-benzofuran-2-carboxylate?
You can request a quote for Ethyl 5-(cyanomethyl)-3-methyl-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 5-(cyanomethyl)-3-methyl-1-benzofuran-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 5-(cyanomethyl)-3-methyl-1-benzofuran-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.