![isopropyl 5-[(2-methoxyanilino)carbonyl]-4-methyl-2-{[(5-methyl-3-phenyl-4-isoxazolyl)carbonyl]amino}-3-thiophenecarboxylate structure](/static/products/4449/444930-72-7.webp)
isopropyl 5-[(2-methoxyanilino)carbonyl]-4-methyl-2-{[(5-methyl-3-phenyl-4-isoxazolyl)carbonyl]amino}-3-thiophenecarboxylate
TL;DR: isopropyl 5-[(2-methoxyanilino)carbonyl]-4-methyl-2-{[(5-methyl-3-phenyl-4-isoxazolyl)carbonyl]amino}-3-thiophenecarboxylate (CAS 444930-72-7) is a chemical compound with molecular formula C28H27N3O6S and molecular weight 533.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propan-2-yl 5-[(2-methoxyphenyl)carbamoyl]-4-methyl-2-[(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)amino]thiophene-3-carboxylate
Also Known As: isopropyl 5-[(2-methoxyanilino)carbonyl]-4-methyl-2-{[(5-methyl-3-phenyl-4-isoxazolyl)carbonyl]amino}-3-thiophenecarboxylate, propan-2-yl 5-[(2-methoxyphenyl)carbamoyl]-4-methyl-2-[(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)amino]thiophene-3-carboxylate, propan-2-yl 5-[(2-methoxyphenyl)carbamoyl]-4-methyl-2-{[(5-methyl-3-phenyl-1,2-oxazol-4-yl)carbonyl]amino}thiophene-3-carboxylate
| Molecular Formula | C28H27N3O6S |
|---|---|
| Molecular Weight | 533.16 g/mol |
| LogP | 6.09834 |
| Topological Polar Surface Area | 119.76 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 533.16205 |
| Heavy Atoms | 38 |
| Complexity | 1489.7444 |
Chemical Identifiers
| CAS Number | 444930-72-7 |
|---|---|
| SMILES | CC1=C(SC(=C1C(=O)OC(C)C)NC(=O)C2=C(ON=C2C3=CC=CC=C3)C)C(=O)NC4=CC=CC=C4OC |
Product Overview
isopropyl 5-[(2-methoxyanilino)carbonyl]-4-methyl-2-{[(5-methyl-3-phenyl-4-isoxazolyl)carbonyl]amino}-3-thiophenecarboxylate (CAS 444930-72-7), with molecular formula C28H27N3O6S and molecular weight 533.16 g/mol. IUPAC: propan-2-yl 5-[(2-methoxyphenyl)carbamoyl]-4-methyl-2-[(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)amino]thiophene-3-carboxylate.
Chemical Property Profile of isopropyl 5-[(2-methoxyanilino)carbonyl]-4-methyl-2-{[(5-methyl-3-phenyl-4-isoxazolyl)carbonyl]amino}-3-thiophenecarboxylate
Property Insights of isopropyl 5-[(2-methoxyanilino)carbonyl]-4-methyl-2-{[(5-methyl-3-phenyl-4-isoxazolyl)carbonyl]amino}-3-thiophenecarboxylate
The XLogP value of 6.09834 indicates that isopropyl 5-[(2-methoxyanilino)carbonyl]-4-methyl-2-{[(5-methyl-3-phenyl-4-isoxazolyl)carbonyl]amino}-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 5-[(2-methoxyanilino)carbonyl]-4-methyl-2-{[(5-methyl-3-phenyl-4-isoxazolyl)carbonyl]amino}-3-thiophenecarboxylate. Following Lipinski's Rule of Five, isopropyl 5-[(2-methoxyanilino)carbonyl]-4-methyl-2-{[(5-methyl-3-phenyl-4-isoxazolyl)carbonyl]amino}-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 5-[(2-methoxyanilino)carbonyl]-4-methyl-2-{[(5-methyl-3-phenyl-4-isoxazolyl)carbonyl]amino}-3-thiophenecarboxylate?
The CAS number of isopropyl 5-[(2-methoxyanilino)carbonyl]-4-methyl-2-{[(5-methyl-3-phenyl-4-isoxazolyl)carbonyl]amino}-3-thiophenecarboxylate is 444930-72-7.
What is the molecular formula of isopropyl 5-[(2-methoxyanilino)carbonyl]-4-methyl-2-{[(5-methyl-3-phenyl-4-isoxazolyl)carbonyl]amino}-3-thiophenecarboxylate?
The molecular formula of isopropyl 5-[(2-methoxyanilino)carbonyl]-4-methyl-2-{[(5-methyl-3-phenyl-4-isoxazolyl)carbonyl]amino}-3-thiophenecarboxylate is C28H27N3O6S.
What is the molecular weight of isopropyl 5-[(2-methoxyanilino)carbonyl]-4-methyl-2-{[(5-methyl-3-phenyl-4-isoxazolyl)carbonyl]amino}-3-thiophenecarboxylate?
The molecular weight of isopropyl 5-[(2-methoxyanilino)carbonyl]-4-methyl-2-{[(5-methyl-3-phenyl-4-isoxazolyl)carbonyl]amino}-3-thiophenecarboxylate is 533.16 g/mol.
Where can I buy isopropyl 5-[(2-methoxyanilino)carbonyl]-4-methyl-2-{[(5-methyl-3-phenyl-4-isoxazolyl)carbonyl]amino}-3-thiophenecarboxylate?
You can request a quote for isopropyl 5-[(2-methoxyanilino)carbonyl]-4-methyl-2-{[(5-methyl-3-phenyl-4-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 isopropyl 5-[(2-methoxyanilino)carbonyl]-4-methyl-2-{[(5-methyl-3-phenyl-4-isoxazolyl)carbonyl]amino}-3-thiophenecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for isopropyl 5-[(2-methoxyanilino)carbonyl]-4-methyl-2-{[(5-methyl-3-phenyl-4-isoxazolyl)carbonyl]amino}-3-thiophenecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.