![propan-2-yl 5-[(2,4-dimethylphenyl)carbamoyl]-4-methyl-2-[(2-oxochromene-3-carbonyl)amino]thiophene-3-carboxylate structure](/static/products/4450/445016-31-9.webp)
propan-2-yl 5-[(2,4-dimethylphenyl)carbamoyl]-4-methyl-2-[(2-oxochromene-3-carbonyl)amino]thiophene-3-carboxylate
TL;DR: propan-2-yl 5-[(2,4-dimethylphenyl)carbamoyl]-4-methyl-2-[(2-oxochromene-3-carbonyl)amino]thiophene-3-carboxylate (CAS 445016-31-9) is a chemical compound with molecular formula C28H26N2O6S and molecular weight 518.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propan-2-yl 5-[(2,4-dimethylphenyl)carbamoyl]-4-methyl-2-[(2-oxochromene-3-carbonyl)amino]thiophene-3-carboxylate
Also Known As: propan-2-yl 5-[(2,4-dimethylphenyl)carbamoyl]-4-methyl-2-[(2-oxochromene-3-carbonyl)amino]thiophene-3-carboxylate, isopropyl 5-[(2,4-dimethylanilino)carbonyl]-4-methyl-2-{[(2-oxo-2H-chromen-3-yl)carbonyl]amino}-3-thiophenecarboxylate, methylethyl 5-[N-(2,4-dimethylphenyl)carbamoyl]-4-methyl-2-[(2-oxochromen-3-yl )carbonylamino]thiophene-3-carboxylate, propan-2-yl 5-[(2,4-dimethylphenyl)carbamoyl]-4-methyl-2-{[(2-oxo-2H-chromen-3-yl)carbonyl]amino}thiophene-3-carboxylate
| Molecular Formula | C28H26N2O6S |
|---|---|
| Molecular Weight | 518.15 g/mol |
| LogP | 5.84956 |
| Topological Polar Surface Area | 114.71 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 518.1512 |
| Heavy Atoms | 37 |
| Complexity | 1598.2582 |
Chemical Identifiers
| CAS Number | 445016-31-9 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)NC(=O)C2=C(C(=C(S2)NC(=O)C3=CC4=CC=CC=C4OC3=O)C(=O)OC(C)C)C)C |
Product Overview
propan-2-yl 5-[(2,4-dimethylphenyl)carbamoyl]-4-methyl-2-[(2-oxochromene-3-carbonyl)amino]thiophene-3-carboxylate (CAS 445016-31-9), with molecular formula C28H26N2O6S and molecular weight 518.15 g/mol. IUPAC: propan-2-yl 5-[(2,4-dimethylphenyl)carbamoyl]-4-methyl-2-[(2-oxochromene-3-carbonyl)amino]thiophene-3-carboxylate.
Chemical Property Profile of propan-2-yl 5-[(2,4-dimethylphenyl)carbamoyl]-4-methyl-2-[(2-oxochromene-3-carbonyl)amino]thiophene-3-carboxylate
Property Insights of propan-2-yl 5-[(2,4-dimethylphenyl)carbamoyl]-4-methyl-2-[(2-oxochromene-3-carbonyl)amino]thiophene-3-carboxylate
The XLogP value of 5.84956 indicates that propan-2-yl 5-[(2,4-dimethylphenyl)carbamoyl]-4-methyl-2-[(2-oxochromene-3-carbonyl)amino]thiophene-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 114.71 Ų falls within the moderate polarity range, balancing permeability and solubility for propan-2-yl 5-[(2,4-dimethylphenyl)carbamoyl]-4-methyl-2-[(2-oxochromene-3-carbonyl)amino]thiophene-3-carboxylate. Following Lipinski's Rule of Five, propan-2-yl 5-[(2,4-dimethylphenyl)carbamoyl]-4-methyl-2-[(2-oxochromene-3-carbonyl)amino]thiophene-3-carboxylate has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of propan-2-yl 5-[(2,4-dimethylphenyl)carbamoyl]-4-methyl-2-[(2-oxochromene-3-carbonyl)amino]thiophene-3-carboxylate?
The CAS number of propan-2-yl 5-[(2,4-dimethylphenyl)carbamoyl]-4-methyl-2-[(2-oxochromene-3-carbonyl)amino]thiophene-3-carboxylate is 445016-31-9.
What is the molecular formula of propan-2-yl 5-[(2,4-dimethylphenyl)carbamoyl]-4-methyl-2-[(2-oxochromene-3-carbonyl)amino]thiophene-3-carboxylate?
The molecular formula of propan-2-yl 5-[(2,4-dimethylphenyl)carbamoyl]-4-methyl-2-[(2-oxochromene-3-carbonyl)amino]thiophene-3-carboxylate is C28H26N2O6S.
What is the molecular weight of propan-2-yl 5-[(2,4-dimethylphenyl)carbamoyl]-4-methyl-2-[(2-oxochromene-3-carbonyl)amino]thiophene-3-carboxylate?
The molecular weight of propan-2-yl 5-[(2,4-dimethylphenyl)carbamoyl]-4-methyl-2-[(2-oxochromene-3-carbonyl)amino]thiophene-3-carboxylate is 518.15 g/mol.
Where can I buy propan-2-yl 5-[(2,4-dimethylphenyl)carbamoyl]-4-methyl-2-[(2-oxochromene-3-carbonyl)amino]thiophene-3-carboxylate?
You can request a quote for propan-2-yl 5-[(2,4-dimethylphenyl)carbamoyl]-4-methyl-2-[(2-oxochromene-3-carbonyl)amino]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 propan-2-yl 5-[(2,4-dimethylphenyl)carbamoyl]-4-methyl-2-[(2-oxochromene-3-carbonyl)amino]thiophene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for propan-2-yl 5-[(2,4-dimethylphenyl)carbamoyl]-4-methyl-2-[(2-oxochromene-3-carbonyl)amino]thiophene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.