Ethyl 4-phenyl-2-{[(5-phenyl-3-isoxazolyl)carbonyl]amino}-3-thiophenecarboxylate
TL;DR: Ethyl 4-phenyl-2-{[(5-phenyl-3-isoxazolyl)carbonyl]amino}-3-thiophenecarboxylate (CAS 712348-26-0) is a chemical compound with molecular formula C23H18N2O4S and molecular weight 418.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-phenyl-2-[(5-phenyl-1,2-oxazole-3-carbonyl)amino]thiophene-3-carboxylate
Also Known As: AN-329/43211173, ethyl 4-phenyl-2-[(5-phenyl-1,2-oxazole-3-carbonyl)amino]thiophene-3-carboxylate, ethyl 4-phenyl-2-{[(5-phenyl-3-isoxazolyl)carbonyl]amino}-3-thiophenecarboxylate, ethyl 4-phenyl-2-(5-phenylisoxazole-3-carboxamido)thiophene-3-carboxylate, ETHYL 4-PHENYL-2-(5-PHENYL-1,2-OXAZOLE-3-AMIDO)THIOPHENE-3-CARBOXYLATE
| Molecular Formula | C23H18N2O4S |
|---|---|
| Molecular Weight | 418.10 g/mol |
| LogP | 5.4991 |
| Topological Polar Surface Area | 81.43 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 418.09872 |
| Heavy Atoms | 30 |
| Complexity | 1166.4083 |
Chemical Identifiers
| CAS Number | 712348-26-0 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=O)C3=NOC(=C3)C4=CC=CC=C4 |
Product Overview
Ethyl 4-phenyl-2-{[(5-phenyl-3-isoxazolyl)carbonyl]amino}-3-thiophenecarboxylate (CAS 712348-26-0), with molecular formula C23H18N2O4S and molecular weight 418.10 g/mol. IUPAC: ethyl 4-phenyl-2-[(5-phenyl-1,2-oxazole-3-carbonyl)amino]thiophene-3-carboxylate.
Chemical Property Profile of Ethyl 4-phenyl-2-{[(5-phenyl-3-isoxazolyl)carbonyl]amino}-3-thiophenecarboxylate
Property Insights of Ethyl 4-phenyl-2-{[(5-phenyl-3-isoxazolyl)carbonyl]amino}-3-thiophenecarboxylate
The XLogP value of 5.4991 indicates that Ethyl 4-phenyl-2-{[(5-phenyl-3-isoxazolyl)carbonyl]amino}-3-thiophenecarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.43 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 4-phenyl-2-{[(5-phenyl-3-isoxazolyl)carbonyl]amino}-3-thiophenecarboxylate. Following Lipinski's Rule of Five, Ethyl 4-phenyl-2-{[(5-phenyl-3-isoxazolyl)carbonyl]amino}-3-thiophenecarboxylate has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Ethyl 4-phenyl-2-{[(5-phenyl-3-isoxazolyl)carbonyl]amino}-3-thiophenecarboxylate?
The CAS number of Ethyl 4-phenyl-2-{[(5-phenyl-3-isoxazolyl)carbonyl]amino}-3-thiophenecarboxylate is 712348-26-0.
What is the molecular formula of Ethyl 4-phenyl-2-{[(5-phenyl-3-isoxazolyl)carbonyl]amino}-3-thiophenecarboxylate?
The molecular formula of Ethyl 4-phenyl-2-{[(5-phenyl-3-isoxazolyl)carbonyl]amino}-3-thiophenecarboxylate is C23H18N2O4S.
What is the molecular weight of Ethyl 4-phenyl-2-{[(5-phenyl-3-isoxazolyl)carbonyl]amino}-3-thiophenecarboxylate?
The molecular weight of Ethyl 4-phenyl-2-{[(5-phenyl-3-isoxazolyl)carbonyl]amino}-3-thiophenecarboxylate is 418.10 g/mol.
Where can I buy Ethyl 4-phenyl-2-{[(5-phenyl-3-isoxazolyl)carbonyl]amino}-3-thiophenecarboxylate?
You can request a quote for Ethyl 4-phenyl-2-{[(5-phenyl-3-isoxazolyl)carbonyl]amino}-3-thiophenecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 4-phenyl-2-{[(5-phenyl-3-isoxazolyl)carbonyl]amino}-3-thiophenecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-phenyl-2-{[(5-phenyl-3-isoxazolyl)carbonyl]amino}-3-thiophenecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.