![isopropyl 2-({[3-(2-chloro-6-fluorophenyl)-5-methyl-4-isoxazolyl]carbonyl}amino)-5-[(4-methoxyanilino)carbonyl]-4-methyl-3-thiophenecarboxylate structure](/static/products/5151/515151-49-2.webp)
isopropyl 2-({[3-(2-chloro-6-fluorophenyl)-5-methyl-4-isoxazolyl]carbonyl}amino)-5-[(4-methoxyanilino)carbonyl]-4-methyl-3-thiophenecarboxylate
TL;DR: isopropyl 2-({[3-(2-chloro-6-fluorophenyl)-5-methyl-4-isoxazolyl]carbonyl}amino)-5-[(4-methoxyanilino)carbonyl]-4-methyl-3-thiophenecarboxylate (CAS 515151-49-2) is a chemical compound with molecular formula C28H25ClFN3O6S and molecular weight 585.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propan-2-yl 2-[[3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]-5-[(4-methoxyphenyl)carbamoyl]-4-methylthiophene-3-carboxylate
Also Known As: isopropyl 2-({[3-(2-chloro-6-fluorophenyl)-5-methyl-4-isoxazolyl]carbonyl}amino)-5-[(4-methoxyanilino)carbonyl]-4-methyl-3-thiophenecarboxylate, propan-2-yl 2-[[3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]-5-[(4-methoxyphenyl)carbamoyl]-4-methylthiophene-3-carboxylate, isopropyl 2-(3-(2-chloro-6-fluorophenyl)-5-methylisoxazole-4-carboxamido)-5-((4-methoxyphenyl)carbamoyl)-4-methylthiophene-3-carboxylate, methylethyl 2-{[3-(2-chloro-6-fluorophenyl)-5-methylisoxazol-4-yl]carbonylamin o}-5-[N-(4-methoxyphenyl)carbamoyl]-4-methylthiophene-3-carboxylate, propan-2-yl 2-({[3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]carbonyl}amino)-5-[(4-methoxyphenyl)carbamoyl]-4-methylthiophene-3-carboxylate
| Molecular Formula | C28H25ClFN3O6S |
|---|---|
| Molecular Weight | 585.11 g/mol |
| LogP | 6.89084 |
| Topological Polar Surface Area | 119.76 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 585.11365 |
| Heavy Atoms | 40 |
| Complexity | 1576.0093 |
Chemical Identifiers
| CAS Number | 515151-49-2 |
|---|---|
| SMILES | CC1=C(SC(=C1C(=O)OC(C)C)NC(=O)C2=C(ON=C2C3=C(C=CC=C3Cl)F)C)C(=O)NC4=CC=C(C=C4)OC |
Product Overview
isopropyl 2-({[3-(2-chloro-6-fluorophenyl)-5-methyl-4-isoxazolyl]carbonyl}amino)-5-[(4-methoxyanilino)carbonyl]-4-methyl-3-thiophenecarboxylate (CAS 515151-49-2), with molecular formula C28H25ClFN3O6S and molecular weight 585.11 g/mol. IUPAC: propan-2-yl 2-[[3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]-5-[(4-methoxyphenyl)carbamoyl]-4-methylthiophene-3-carboxylate.
Chemical Property Profile of isopropyl 2-({[3-(2-chloro-6-fluorophenyl)-5-methyl-4-isoxazolyl]carbonyl}amino)-5-[(4-methoxyanilino)carbonyl]-4-methyl-3-thiophenecarboxylate
Property Insights of isopropyl 2-({[3-(2-chloro-6-fluorophenyl)-5-methyl-4-isoxazolyl]carbonyl}amino)-5-[(4-methoxyanilino)carbonyl]-4-methyl-3-thiophenecarboxylate
The XLogP value of 6.89084 indicates that isopropyl 2-({[3-(2-chloro-6-fluorophenyl)-5-methyl-4-isoxazolyl]carbonyl}amino)-5-[(4-methoxyanilino)carbonyl]-4-methyl-3-thiophenecarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 119.76 Ų falls within the moderate polarity range, balancing permeability and solubility for isopropyl 2-({[3-(2-chloro-6-fluorophenyl)-5-methyl-4-isoxazolyl]carbonyl}amino)-5-[(4-methoxyanilino)carbonyl]-4-methyl-3-thiophenecarboxylate. Following Lipinski's Rule of Five, isopropyl 2-({[3-(2-chloro-6-fluorophenyl)-5-methyl-4-isoxazolyl]carbonyl}amino)-5-[(4-methoxyanilino)carbonyl]-4-methyl-3-thiophenecarboxylate has 2 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of isopropyl 2-({[3-(2-chloro-6-fluorophenyl)-5-methyl-4-isoxazolyl]carbonyl}amino)-5-[(4-methoxyanilino)carbonyl]-4-methyl-3-thiophenecarboxylate?
The CAS number of isopropyl 2-({[3-(2-chloro-6-fluorophenyl)-5-methyl-4-isoxazolyl]carbonyl}amino)-5-[(4-methoxyanilino)carbonyl]-4-methyl-3-thiophenecarboxylate is 515151-49-2.
What is the molecular formula of isopropyl 2-({[3-(2-chloro-6-fluorophenyl)-5-methyl-4-isoxazolyl]carbonyl}amino)-5-[(4-methoxyanilino)carbonyl]-4-methyl-3-thiophenecarboxylate?
The molecular formula of isopropyl 2-({[3-(2-chloro-6-fluorophenyl)-5-methyl-4-isoxazolyl]carbonyl}amino)-5-[(4-methoxyanilino)carbonyl]-4-methyl-3-thiophenecarboxylate is C28H25ClFN3O6S.
What is the molecular weight of isopropyl 2-({[3-(2-chloro-6-fluorophenyl)-5-methyl-4-isoxazolyl]carbonyl}amino)-5-[(4-methoxyanilino)carbonyl]-4-methyl-3-thiophenecarboxylate?
The molecular weight of isopropyl 2-({[3-(2-chloro-6-fluorophenyl)-5-methyl-4-isoxazolyl]carbonyl}amino)-5-[(4-methoxyanilino)carbonyl]-4-methyl-3-thiophenecarboxylate is 585.11 g/mol.
Where can I buy isopropyl 2-({[3-(2-chloro-6-fluorophenyl)-5-methyl-4-isoxazolyl]carbonyl}amino)-5-[(4-methoxyanilino)carbonyl]-4-methyl-3-thiophenecarboxylate?
You can request a quote for isopropyl 2-({[3-(2-chloro-6-fluorophenyl)-5-methyl-4-isoxazolyl]carbonyl}amino)-5-[(4-methoxyanilino)carbonyl]-4-methyl-3-thiophenecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for isopropyl 2-({[3-(2-chloro-6-fluorophenyl)-5-methyl-4-isoxazolyl]carbonyl}amino)-5-[(4-methoxyanilino)carbonyl]-4-methyl-3-thiophenecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for isopropyl 2-({[3-(2-chloro-6-fluorophenyl)-5-methyl-4-isoxazolyl]carbonyl}amino)-5-[(4-methoxyanilino)carbonyl]-4-methyl-3-thiophenecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.