Methyl 5-(1-benzofuran-2-carbonylamino)-4-cyano-3-methylthiophene-2-carboxylate
TL;DR: Methyl 5-(1-benzofuran-2-carbonylamino)-4-cyano-3-methylthiophene-2-carboxylate (CAS 445415-76-9) is a chemical compound with molecular formula C17H12N2O4S and molecular weight 340.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 5-(1-benzofuran-2-carbonylamino)-4-cyano-3-methylthiophene-2-carboxylate
Also Known As: BAS 06856612, AB00297703-02, methyl 5-(1-benzofuran-2-carbonylamino)-4-cyano-3-methylthiophene-2-carboxylate, AN-465/40999741, A3265/0138828
| Molecular Formula | C17H12N2O4S |
|---|---|
| Molecular Weight | 340.05 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 121.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 340.0518 |
| Heavy Atoms | 24 |
| Complexity | 560.0 |
Chemical Identifiers
| CAS Number | 445415-76-9 |
|---|---|
| SMILES | CC1=C(SC(=C1C#N)NC(=O)C2=CC3=CC=CC=C3O2)C(=O)OC |
| InChIKey | CGMJBFIQJUAMRX-UHFFFAOYSA-N |
Product Overview
Methyl 5-(1-benzofuran-2-carbonylamino)-4-cyano-3-methylthiophene-2-carboxylate (CAS 445415-76-9), with molecular formula C17H12N2O4S and molecular weight 340.05 g/mol. IUPAC: methyl 5-(1-benzofuran-2-carbonylamino)-4-cyano-3-methylthiophene-2-carboxylate.
Chemical Property Profile of Methyl 5-(1-benzofuran-2-carbonylamino)-4-cyano-3-methylthiophene-2-carboxylate
Property Insights of Methyl 5-(1-benzofuran-2-carbonylamino)-4-cyano-3-methylthiophene-2-carboxylate
The XLogP value of 4.3 indicates that Methyl 5-(1-benzofuran-2-carbonylamino)-4-cyano-3-methylthiophene-2-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 121.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 5-(1-benzofuran-2-carbonylamino)-4-cyano-3-methylthiophene-2-carboxylate. Following Lipinski's Rule of Five, Methyl 5-(1-benzofuran-2-carbonylamino)-4-cyano-3-methylthiophene-2-carboxylate has 1 hydrogen bond donor(s) and 6 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-(1-benzofuran-2-carbonylamino)-4-cyano-3-methylthiophene-2-carboxylate?
The CAS number of Methyl 5-(1-benzofuran-2-carbonylamino)-4-cyano-3-methylthiophene-2-carboxylate is 445415-76-9.
What is the molecular formula of Methyl 5-(1-benzofuran-2-carbonylamino)-4-cyano-3-methylthiophene-2-carboxylate?
The molecular formula of Methyl 5-(1-benzofuran-2-carbonylamino)-4-cyano-3-methylthiophene-2-carboxylate is C17H12N2O4S.
What is the molecular weight of Methyl 5-(1-benzofuran-2-carbonylamino)-4-cyano-3-methylthiophene-2-carboxylate?
The molecular weight of Methyl 5-(1-benzofuran-2-carbonylamino)-4-cyano-3-methylthiophene-2-carboxylate is 340.05 g/mol.
Where can I buy Methyl 5-(1-benzofuran-2-carbonylamino)-4-cyano-3-methylthiophene-2-carboxylate?
You can request a quote for Methyl 5-(1-benzofuran-2-carbonylamino)-4-cyano-3-methylthiophene-2-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-(1-benzofuran-2-carbonylamino)-4-cyano-3-methylthiophene-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 5-(1-benzofuran-2-carbonylamino)-4-cyano-3-methylthiophene-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.