Methyl 5-(cyanomethoxy)-2-methyl-1-benzofuran-3-carboxylate
TL;DR: Methyl 5-(cyanomethoxy)-2-methyl-1-benzofuran-3-carboxylate (CAS 314745-77-2) is a chemical compound with molecular formula C13H11NO4 and molecular weight 245.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 5-(cyanomethoxy)-2-methyl-1-benzofuran-3-carboxylate
Also Known As: ChemDiv3_001848, methyl 5-(cyanomethoxy)-2-methyl-1-benzofuran-3-carboxylate, IDI1_020814, BAS 02771252, methyl 5-(cyanomethoxy)-2-methylbenzofuran-3-carboxylate
| Molecular Formula | C13H11NO4 |
|---|---|
| Molecular Weight | 245.07 g/mol |
| LogP | 2.4302 |
| Topological Polar Surface Area | 72.46 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 245.0688 |
| Heavy Atoms | 18 |
| Complexity | 636.21405 |
Chemical Identifiers
| CAS Number | 314745-77-2 |
|---|---|
| SMILES | CC1=C(C2=C(O1)C=CC(=C2)OCC#N)C(=O)OC |
Product Overview
Methyl 5-(cyanomethoxy)-2-methyl-1-benzofuran-3-carboxylate (CAS 314745-77-2), with molecular formula C13H11NO4 and molecular weight 245.07 g/mol. IUPAC: methyl 5-(cyanomethoxy)-2-methyl-1-benzofuran-3-carboxylate.
Chemical Property Profile of Methyl 5-(cyanomethoxy)-2-methyl-1-benzofuran-3-carboxylate
Property Insights of Methyl 5-(cyanomethoxy)-2-methyl-1-benzofuran-3-carboxylate
The XLogP value of 2.4302 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 5-(cyanomethoxy)-2-methyl-1-benzofuran-3-carboxylate. The TPSA of 72.46 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 5-(cyanomethoxy)-2-methyl-1-benzofuran-3-carboxylate. Following Lipinski's Rule of Five, Methyl 5-(cyanomethoxy)-2-methyl-1-benzofuran-3-carboxylate has 0 hydrogen bond donor(s) and 5 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 5-(cyanomethoxy)-2-methyl-1-benzofuran-3-carboxylate?
The CAS number of Methyl 5-(cyanomethoxy)-2-methyl-1-benzofuran-3-carboxylate is 314745-77-2.
What is the molecular formula of Methyl 5-(cyanomethoxy)-2-methyl-1-benzofuran-3-carboxylate?
The molecular formula of Methyl 5-(cyanomethoxy)-2-methyl-1-benzofuran-3-carboxylate is C13H11NO4.
What is the molecular weight of Methyl 5-(cyanomethoxy)-2-methyl-1-benzofuran-3-carboxylate?
The molecular weight of Methyl 5-(cyanomethoxy)-2-methyl-1-benzofuran-3-carboxylate is 245.07 g/mol.
Where can I buy Methyl 5-(cyanomethoxy)-2-methyl-1-benzofuran-3-carboxylate?
You can request a quote for Methyl 5-(cyanomethoxy)-2-methyl-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 Methyl 5-(cyanomethoxy)-2-methyl-1-benzofuran-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 5-(cyanomethoxy)-2-methyl-1-benzofuran-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.