2-methyl 4-propyl 5-(3,5-dimethylisoxazole-4-carboxamido)-3-methylthiophene-2,4-dicarboxylate
TL;DR: 2-methyl 4-propyl 5-(3,5-dimethylisoxazole-4-carboxamido)-3-methylthiophene-2,4-dicarboxylate (CAS 438226-72-3) is a chemical compound with molecular formula C17H20N2O6S and molecular weight 380.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-O-methyl 4-O-propyl 5-[(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]-3-methylthiophene-2,4-dicarboxylate
Also Known As: 2-methyl 4-propyl 5-(3,5-dimethylisoxazole-4-carboxamido)-3-methylthiophene-2,4-dicarboxylate, 2-methyl 4-propyl 5-{[(3,5-dimethyl-1,2-oxazol-4-yl)carbonyl]amino}-3-methylthiophene-2,4-dicarboxylate, 2-methyl 4-propyl 5-{[(3,5-dimethyl-4-isoxazolyl)carbonyl]amino}-3-methyl-2,4-thiophenedicarboxylate, 2-O-methyl 4-O-propyl 5-[(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]-3-methylthiophene-2,4-dicarboxylate, propyl 2-[(3,5-dimethylisoxazol-4-yl)carbonylamino]-5-(methoxycarbonyl)-4-meth ylthiophene-3-carboxylate
| Molecular Formula | C17H20N2O6S |
|---|---|
| Molecular Weight | 380.10 g/mol |
| LogP | 3.26706 |
| Topological Polar Surface Area | 107.73 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 380.10422 |
| Heavy Atoms | 26 |
| Complexity | 832.30054 |
Chemical Identifiers
| CAS Number | 438226-72-3 |
|---|---|
| SMILES | CCCOC(=O)C1=C(SC(=C1C)C(=O)OC)NC(=O)C2=C(ON=C2C)C |
Product Overview
2-methyl 4-propyl 5-(3,5-dimethylisoxazole-4-carboxamido)-3-methylthiophene-2,4-dicarboxylate (CAS 438226-72-3), with molecular formula C17H20N2O6S and molecular weight 380.10 g/mol. IUPAC: 2-O-methyl 4-O-propyl 5-[(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]-3-methylthiophene-2,4-dicarboxylate.
Chemical Property Profile of 2-methyl 4-propyl 5-(3,5-dimethylisoxazole-4-carboxamido)-3-methylthiophene-2,4-dicarboxylate
Property Insights of 2-methyl 4-propyl 5-(3,5-dimethylisoxazole-4-carboxamido)-3-methylthiophene-2,4-dicarboxylate
The XLogP value of 3.26706 indicates that 2-methyl 4-propyl 5-(3,5-dimethylisoxazole-4-carboxamido)-3-methylthiophene-2,4-dicarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 107.73 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-methyl 4-propyl 5-(3,5-dimethylisoxazole-4-carboxamido)-3-methylthiophene-2,4-dicarboxylate. Following Lipinski's Rule of Five, 2-methyl 4-propyl 5-(3,5-dimethylisoxazole-4-carboxamido)-3-methylthiophene-2,4-dicarboxylate has 1 hydrogen bond donor(s) and 8 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 2-methyl 4-propyl 5-(3,5-dimethylisoxazole-4-carboxamido)-3-methylthiophene-2,4-dicarboxylate?
The CAS number of 2-methyl 4-propyl 5-(3,5-dimethylisoxazole-4-carboxamido)-3-methylthiophene-2,4-dicarboxylate is 438226-72-3.
What is the molecular formula of 2-methyl 4-propyl 5-(3,5-dimethylisoxazole-4-carboxamido)-3-methylthiophene-2,4-dicarboxylate?
The molecular formula of 2-methyl 4-propyl 5-(3,5-dimethylisoxazole-4-carboxamido)-3-methylthiophene-2,4-dicarboxylate is C17H20N2O6S.
What is the molecular weight of 2-methyl 4-propyl 5-(3,5-dimethylisoxazole-4-carboxamido)-3-methylthiophene-2,4-dicarboxylate?
The molecular weight of 2-methyl 4-propyl 5-(3,5-dimethylisoxazole-4-carboxamido)-3-methylthiophene-2,4-dicarboxylate is 380.10 g/mol.
Where can I buy 2-methyl 4-propyl 5-(3,5-dimethylisoxazole-4-carboxamido)-3-methylthiophene-2,4-dicarboxylate?
You can request a quote for 2-methyl 4-propyl 5-(3,5-dimethylisoxazole-4-carboxamido)-3-methylthiophene-2,4-dicarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-methyl 4-propyl 5-(3,5-dimethylisoxazole-4-carboxamido)-3-methylthiophene-2,4-dicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for 2-methyl 4-propyl 5-(3,5-dimethylisoxazole-4-carboxamido)-3-methylthiophene-2,4-dicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.