![Dimethyl 3-methyl-5-[(2-oxochromene-3-carbonyl)amino]thiophene-2,4-dicarboxylate structure](/static/products/5408/540800-57-5.webp)
Dimethyl 3-methyl-5-[(2-oxochromene-3-carbonyl)amino]thiophene-2,4-dicarboxylate
TL;DR: Dimethyl 3-methyl-5-[(2-oxochromene-3-carbonyl)amino]thiophene-2,4-dicarboxylate (CAS 540800-57-5) is a chemical compound with molecular formula C19H15NO7S and molecular weight 401.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 3-methyl-5-[(2-oxochromene-3-carbonyl)amino]thiophene-2,4-dicarboxylate
Also Known As: dimethyl 3-methyl-5-[(2-oxochromene-3-carbonyl)amino]thiophene-2,4-dicarboxylate, dimethyl 3-methyl-5-{[(2-oxo-2H-chromen-3-yl)carbonyl]amino}-2,4-thiophenedicarboxylate, dimethyl 3-methyl-5-{[(2-oxo-2H-chromen-3-yl)carbonyl]amino}thiophene-2,4-dicarboxylate, methyl 5-(methoxycarbonyl)-4-methyl-2-[(2-oxochromen-3-yl)carbonylamino]thioph ene-3-carboxylate
| Molecular Formula | C19H15NO7S |
|---|---|
| Molecular Weight | 401.06 g/mol |
| LogP | 2.98842 |
| Topological Polar Surface Area | 111.91 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 401.05692 |
| Heavy Atoms | 28 |
| Complexity | 1158.7888 |
Chemical Identifiers
| CAS Number | 540800-57-5 |
|---|---|
| SMILES | CC1=C(SC(=C1C(=O)OC)NC(=O)C2=CC3=CC=CC=C3OC2=O)C(=O)OC |
Product Overview
Dimethyl 3-methyl-5-[(2-oxochromene-3-carbonyl)amino]thiophene-2,4-dicarboxylate (CAS 540800-57-5), with molecular formula C19H15NO7S and molecular weight 401.06 g/mol. IUPAC: dimethyl 3-methyl-5-[(2-oxochromene-3-carbonyl)amino]thiophene-2,4-dicarboxylate.
Chemical Property Profile of Dimethyl 3-methyl-5-[(2-oxochromene-3-carbonyl)amino]thiophene-2,4-dicarboxylate
Property Insights of Dimethyl 3-methyl-5-[(2-oxochromene-3-carbonyl)amino]thiophene-2,4-dicarboxylate
The XLogP value of 2.98842 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dimethyl 3-methyl-5-[(2-oxochromene-3-carbonyl)amino]thiophene-2,4-dicarboxylate. The TPSA of 111.91 Ų falls within the moderate polarity range, balancing permeability and solubility for Dimethyl 3-methyl-5-[(2-oxochromene-3-carbonyl)amino]thiophene-2,4-dicarboxylate. Following Lipinski's Rule of Five, Dimethyl 3-methyl-5-[(2-oxochromene-3-carbonyl)amino]thiophene-2,4-dicarboxylate has 1 hydrogen bond donor(s) and 8 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 Dimethyl 3-methyl-5-[(2-oxochromene-3-carbonyl)amino]thiophene-2,4-dicarboxylate?
The CAS number of Dimethyl 3-methyl-5-[(2-oxochromene-3-carbonyl)amino]thiophene-2,4-dicarboxylate is 540800-57-5.
What is the molecular formula of Dimethyl 3-methyl-5-[(2-oxochromene-3-carbonyl)amino]thiophene-2,4-dicarboxylate?
The molecular formula of Dimethyl 3-methyl-5-[(2-oxochromene-3-carbonyl)amino]thiophene-2,4-dicarboxylate is C19H15NO7S.
What is the molecular weight of Dimethyl 3-methyl-5-[(2-oxochromene-3-carbonyl)amino]thiophene-2,4-dicarboxylate?
The molecular weight of Dimethyl 3-methyl-5-[(2-oxochromene-3-carbonyl)amino]thiophene-2,4-dicarboxylate is 401.06 g/mol.
Where can I buy Dimethyl 3-methyl-5-[(2-oxochromene-3-carbonyl)amino]thiophene-2,4-dicarboxylate?
You can request a quote for Dimethyl 3-methyl-5-[(2-oxochromene-3-carbonyl)amino]thiophene-2,4-dicarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dimethyl 3-methyl-5-[(2-oxochromene-3-carbonyl)amino]thiophene-2,4-dicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Dimethyl 3-methyl-5-[(2-oxochromene-3-carbonyl)amino]thiophene-2,4-dicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.