methyl 5-((4-chlorophenyl)carbamoyl)-4-methyl-2-(5-methylisoxazole-3-carboxamido)thiophene-3-carboxylate
TL;DR: methyl 5-((4-chlorophenyl)carbamoyl)-4-methyl-2-(5-methylisoxazole-3-carboxamido)thiophene-3-carboxylate (CAS 830339-37-2) is a chemical compound with molecular formula C19H16ClN3O5S and molecular weight 433.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 5-[(4-chlorophenyl)carbamoyl]-4-methyl-2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]thiophene-3-carboxylate
Also Known As: methyl 5-((4-chlorophenyl)carbamoyl)-4-methyl-2-(5-methylisoxazole-3-carboxamido)thiophene-3-carboxylate, METHYL 5-[(4-CHLOROPHENYL)CARBAMOYL]-4-METHYL-2-(5-METHYL-1,2-OXAZOLE-3-AMIDO)THIOPHENE-3-CARBOXYLATE, methyl 5-[(4-chlorophenyl)carbamoyl]-4-methyl-2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]thiophene-3-carboxylate, methyl 5-[(4-chlorophenyl)carbamoyl]-4-methyl-2-{[(5-methyl-1,2-oxazol-3-yl)carbonyl]amino}thiophene-3-carboxylate, methyl 5-[N-(4-chlorophenyl)carbamoyl]-4-methyl-2-[(5-methylisoxazol-3-yl)carb onylamino]thiophene-3-carboxylate
| Molecular Formula | C19H16ClN3O5S |
|---|---|
| Molecular Weight | 433.05 g/mol |
| LogP | 4.29754 |
| Topological Polar Surface Area | 110.53 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 433.04993 |
| Heavy Atoms | 29 |
| Complexity | 1087.9623 |
Chemical Identifiers
| CAS Number | 830339-37-2 |
|---|---|
| SMILES | CC1=CC(=NO1)C(=O)NC2=C(C(=C(S2)C(=O)NC3=CC=C(C=C3)Cl)C)C(=O)OC |
Product Overview
methyl 5-((4-chlorophenyl)carbamoyl)-4-methyl-2-(5-methylisoxazole-3-carboxamido)thiophene-3-carboxylate (CAS 830339-37-2), with molecular formula C19H16ClN3O5S and molecular weight 433.05 g/mol. IUPAC: methyl 5-[(4-chlorophenyl)carbamoyl]-4-methyl-2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]thiophene-3-carboxylate.
Chemical Property Profile of methyl 5-((4-chlorophenyl)carbamoyl)-4-methyl-2-(5-methylisoxazole-3-carboxamido)thiophene-3-carboxylate
Property Insights of methyl 5-((4-chlorophenyl)carbamoyl)-4-methyl-2-(5-methylisoxazole-3-carboxamido)thiophene-3-carboxylate
The XLogP value of 4.29754 indicates that methyl 5-((4-chlorophenyl)carbamoyl)-4-methyl-2-(5-methylisoxazole-3-carboxamido)thiophene-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 110.53 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 5-((4-chlorophenyl)carbamoyl)-4-methyl-2-(5-methylisoxazole-3-carboxamido)thiophene-3-carboxylate. Following Lipinski's Rule of Five, methyl 5-((4-chlorophenyl)carbamoyl)-4-methyl-2-(5-methylisoxazole-3-carboxamido)thiophene-3-carboxylate has 2 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 methyl 5-((4-chlorophenyl)carbamoyl)-4-methyl-2-(5-methylisoxazole-3-carboxamido)thiophene-3-carboxylate?
The CAS number of methyl 5-((4-chlorophenyl)carbamoyl)-4-methyl-2-(5-methylisoxazole-3-carboxamido)thiophene-3-carboxylate is 830339-37-2.
What is the molecular formula of methyl 5-((4-chlorophenyl)carbamoyl)-4-methyl-2-(5-methylisoxazole-3-carboxamido)thiophene-3-carboxylate?
The molecular formula of methyl 5-((4-chlorophenyl)carbamoyl)-4-methyl-2-(5-methylisoxazole-3-carboxamido)thiophene-3-carboxylate is C19H16ClN3O5S.
What is the molecular weight of methyl 5-((4-chlorophenyl)carbamoyl)-4-methyl-2-(5-methylisoxazole-3-carboxamido)thiophene-3-carboxylate?
The molecular weight of methyl 5-((4-chlorophenyl)carbamoyl)-4-methyl-2-(5-methylisoxazole-3-carboxamido)thiophene-3-carboxylate is 433.05 g/mol.
Where can I buy methyl 5-((4-chlorophenyl)carbamoyl)-4-methyl-2-(5-methylisoxazole-3-carboxamido)thiophene-3-carboxylate?
You can request a quote for methyl 5-((4-chlorophenyl)carbamoyl)-4-methyl-2-(5-methylisoxazole-3-carboxamido)thiophene-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-((4-chlorophenyl)carbamoyl)-4-methyl-2-(5-methylisoxazole-3-carboxamido)thiophene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 5-((4-chlorophenyl)carbamoyl)-4-methyl-2-(5-methylisoxazole-3-carboxamido)thiophene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.