dimethyl 2-(5-methyl-3-phenylisoxazole-4-carboxamido)terephthalate
TL;DR: dimethyl 2-(5-methyl-3-phenylisoxazole-4-carboxamido)terephthalate (CAS 541518-10-9) is a chemical compound with molecular formula C21H18N2O6 and molecular weight 394.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 2-[(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)amino]benzene-1,4-dicarboxylate
Also Known As: dimethyl 2-(5-methyl-3-phenylisoxazole-4-carboxamido)terephthalate, 1,4-DIMETHYL 2-(5-METHYL-3-PHENYL-1,2-OXAZOLE-4-AMIDO)BENZENE-1,4-DICARBOXYLATE, dimethyl 2-[(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)amino]benzene-1,4-dicarboxylate, dimethyl 2-{[(5-methyl-3-phenyl-1,2-oxazol-4-yl)carbonyl]amino}benzene-1,4-dicarboxylate, methyl 4-(methoxycarbonyl)-3-[(5-methyl-3-phenylisoxazol-4-yl)carbonylamino]be nzoate
| Molecular Formula | C21H18N2O6 |
|---|---|
| Molecular Weight | 394.12 g/mol |
| LogP | 3.47552 |
| Topological Polar Surface Area | 107.73 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 394.1165 |
| Heavy Atoms | 29 |
| Complexity | 1072.0303 |
Chemical Identifiers
| CAS Number | 541518-10-9 |
|---|---|
| SMILES | CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)NC3=C(C=CC(=C3)C(=O)OC)C(=O)OC |
Product Overview
dimethyl 2-(5-methyl-3-phenylisoxazole-4-carboxamido)terephthalate (CAS 541518-10-9), with molecular formula C21H18N2O6 and molecular weight 394.12 g/mol. IUPAC: dimethyl 2-[(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)amino]benzene-1,4-dicarboxylate.
Chemical Property Profile of dimethyl 2-(5-methyl-3-phenylisoxazole-4-carboxamido)terephthalate
Property Insights of dimethyl 2-(5-methyl-3-phenylisoxazole-4-carboxamido)terephthalate
The XLogP value of 3.47552 indicates that dimethyl 2-(5-methyl-3-phenylisoxazole-4-carboxamido)terephthalate 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 dimethyl 2-(5-methyl-3-phenylisoxazole-4-carboxamido)terephthalate. Following Lipinski's Rule of Five, dimethyl 2-(5-methyl-3-phenylisoxazole-4-carboxamido)terephthalate has 1 hydrogen bond donor(s) and 7 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 dimethyl 2-(5-methyl-3-phenylisoxazole-4-carboxamido)terephthalate?
The CAS number of dimethyl 2-(5-methyl-3-phenylisoxazole-4-carboxamido)terephthalate is 541518-10-9.
What is the molecular formula of dimethyl 2-(5-methyl-3-phenylisoxazole-4-carboxamido)terephthalate?
The molecular formula of dimethyl 2-(5-methyl-3-phenylisoxazole-4-carboxamido)terephthalate is C21H18N2O6.
What is the molecular weight of dimethyl 2-(5-methyl-3-phenylisoxazole-4-carboxamido)terephthalate?
The molecular weight of dimethyl 2-(5-methyl-3-phenylisoxazole-4-carboxamido)terephthalate is 394.12 g/mol.
Where can I buy dimethyl 2-(5-methyl-3-phenylisoxazole-4-carboxamido)terephthalate?
You can request a quote for dimethyl 2-(5-methyl-3-phenylisoxazole-4-carboxamido)terephthalate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for dimethyl 2-(5-methyl-3-phenylisoxazole-4-carboxamido)terephthalate?
Yes, KEHONG BIO provides custom synthesis services for dimethyl 2-(5-methyl-3-phenylisoxazole-4-carboxamido)terephthalate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.