![isopropyl 5-methyl-2-{[(5-methyl-3-phenyl-4-isoxazolyl)carbonyl]amino}-4-(4-propylphenyl)-3-thiophenecarboxylate structure](/static/products/4449/444934-34-3.webp)
isopropyl 5-methyl-2-{[(5-methyl-3-phenyl-4-isoxazolyl)carbonyl]amino}-4-(4-propylphenyl)-3-thiophenecarboxylate
TL;DR: isopropyl 5-methyl-2-{[(5-methyl-3-phenyl-4-isoxazolyl)carbonyl]amino}-4-(4-propylphenyl)-3-thiophenecarboxylate (CAS 444934-34-3) is a chemical compound with molecular formula C29H30N2O4S and molecular weight 502.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propan-2-yl 5-methyl-2-[(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)amino]-4-(4-propylphenyl)thiophene-3-carboxylate
Also Known As: isopropyl 5-methyl-2-{[(5-methyl-3-phenyl-4-isoxazolyl)carbonyl]amino}-4-(4-propylphenyl)-3-thiophenecarboxylate, propan-2-yl 5-methyl-2-[(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)amino]-4-(4-propylphenyl)thiophene-3-carboxylate, propan-2-yl 5-methyl-2-{[(5-methyl-3-phenyl-1,2-oxazol-4-yl)carbonyl]amino}-4-(4-propylphenyl)thiophene-3-carboxylate
| Molecular Formula | C29H30N2O4S |
|---|---|
| Molecular Weight | 502.19 g/mol |
| LogP | 7.45694 |
| Topological Polar Surface Area | 81.43 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 502.19263 |
| Heavy Atoms | 36 |
| Complexity | 1368.5325 |
Chemical Identifiers
| CAS Number | 444934-34-3 |
|---|---|
| SMILES | CCCC1=CC=C(C=C1)C2=C(SC(=C2C(=O)OC(C)C)NC(=O)C3=C(ON=C3C4=CC=CC=C4)C)C |
Product Overview
isopropyl 5-methyl-2-{[(5-methyl-3-phenyl-4-isoxazolyl)carbonyl]amino}-4-(4-propylphenyl)-3-thiophenecarboxylate (CAS 444934-34-3), with molecular formula C29H30N2O4S and molecular weight 502.19 g/mol. IUPAC: propan-2-yl 5-methyl-2-[(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)amino]-4-(4-propylphenyl)thiophene-3-carboxylate.
Chemical Property Profile of isopropyl 5-methyl-2-{[(5-methyl-3-phenyl-4-isoxazolyl)carbonyl]amino}-4-(4-propylphenyl)-3-thiophenecarboxylate
Property Insights of isopropyl 5-methyl-2-{[(5-methyl-3-phenyl-4-isoxazolyl)carbonyl]amino}-4-(4-propylphenyl)-3-thiophenecarboxylate
The XLogP value of 7.45694 indicates that isopropyl 5-methyl-2-{[(5-methyl-3-phenyl-4-isoxazolyl)carbonyl]amino}-4-(4-propylphenyl)-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 isopropyl 5-methyl-2-{[(5-methyl-3-phenyl-4-isoxazolyl)carbonyl]amino}-4-(4-propylphenyl)-3-thiophenecarboxylate. Following Lipinski's Rule of Five, isopropyl 5-methyl-2-{[(5-methyl-3-phenyl-4-isoxazolyl)carbonyl]amino}-4-(4-propylphenyl)-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 isopropyl 5-methyl-2-{[(5-methyl-3-phenyl-4-isoxazolyl)carbonyl]amino}-4-(4-propylphenyl)-3-thiophenecarboxylate?
The CAS number of isopropyl 5-methyl-2-{[(5-methyl-3-phenyl-4-isoxazolyl)carbonyl]amino}-4-(4-propylphenyl)-3-thiophenecarboxylate is 444934-34-3.
What is the molecular formula of isopropyl 5-methyl-2-{[(5-methyl-3-phenyl-4-isoxazolyl)carbonyl]amino}-4-(4-propylphenyl)-3-thiophenecarboxylate?
The molecular formula of isopropyl 5-methyl-2-{[(5-methyl-3-phenyl-4-isoxazolyl)carbonyl]amino}-4-(4-propylphenyl)-3-thiophenecarboxylate is C29H30N2O4S.
What is the molecular weight of isopropyl 5-methyl-2-{[(5-methyl-3-phenyl-4-isoxazolyl)carbonyl]amino}-4-(4-propylphenyl)-3-thiophenecarboxylate?
The molecular weight of isopropyl 5-methyl-2-{[(5-methyl-3-phenyl-4-isoxazolyl)carbonyl]amino}-4-(4-propylphenyl)-3-thiophenecarboxylate is 502.19 g/mol.
Where can I buy isopropyl 5-methyl-2-{[(5-methyl-3-phenyl-4-isoxazolyl)carbonyl]amino}-4-(4-propylphenyl)-3-thiophenecarboxylate?
You can request a quote for isopropyl 5-methyl-2-{[(5-methyl-3-phenyl-4-isoxazolyl)carbonyl]amino}-4-(4-propylphenyl)-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-methyl-2-{[(5-methyl-3-phenyl-4-isoxazolyl)carbonyl]amino}-4-(4-propylphenyl)-3-thiophenecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for isopropyl 5-methyl-2-{[(5-methyl-3-phenyl-4-isoxazolyl)carbonyl]amino}-4-(4-propylphenyl)-3-thiophenecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.