![ethyl 2-{[(6-chloro-7-methyl-4-oxo-4H-chromen-2-yl)carbonyl]amino}-4,5-dimethylthiophene-3-carboxylate structure](/static/products/873/873080-94-5.png)
ethyl 2-{[(6-chloro-7-methyl-4-oxo-4H-chromen-2-yl)carbonyl]amino}-4,5-dimethylthiophene-3-carboxylate
TL;DR: ethyl 2-{[(6-chloro-7-methyl-4-oxo-4H-chromen-2-yl)carbonyl]amino}-4,5-dimethylthiophene-3-carboxylate (CAS 873080-94-5) is a chemical compound with molecular formula C20H18ClNO5S and molecular weight 419.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[(6-chloro-7-methyl-4-oxochromene-2-carbonyl)amino]-4,5-dimethylthiophene-3-carboxylate
Also Known As: ethyl 2-{[(6-chloro-7-methyl-4-oxo-4H-chromen-2-yl)carbonyl]amino}-4,5-dimethylthiophene-3-carboxylate, ethyl 2-(6-chloro-7-methyl-4-oxo-4H-chromene-2-carboxamido)-4,5-dimethylthiophene-3-carboxylate, Ethyl 2-[(6-chloro-7-methyl-4-oxo-chromene-2-carbonyl)amino]-4,5-dimethyl-thiophene-3-carboxylate, ethyl 2-[(6-chloro-7-methyl-4-oxochromene-2-carbonyl)amino]-4,5-dimethylthiophene-3-carboxylate
| Molecular Formula | C20H18ClNO5S |
|---|---|
| Molecular Weight | 419.06 g/mol |
| LogP | 4.86216 |
| Topological Polar Surface Area | 85.61 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 419.05942 |
| Heavy Atoms | 28 |
| Complexity | 1161.5929 |
Chemical Identifiers
| CAS Number | 873080-94-5 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC(=C1C)C)NC(=O)C2=CC(=O)C3=C(O2)C=C(C(=C3)Cl)C |
Product Overview
ethyl 2-{[(6-chloro-7-methyl-4-oxo-4H-chromen-2-yl)carbonyl]amino}-4,5-dimethylthiophene-3-carboxylate (CAS 873080-94-5), with molecular formula C20H18ClNO5S and molecular weight 419.06 g/mol. IUPAC: ethyl 2-[(6-chloro-7-methyl-4-oxochromene-2-carbonyl)amino]-4,5-dimethylthiophene-3-carboxylate.
Chemical Property Profile of ethyl 2-{[(6-chloro-7-methyl-4-oxo-4H-chromen-2-yl)carbonyl]amino}-4,5-dimethylthiophene-3-carboxylate
Property Insights of ethyl 2-{[(6-chloro-7-methyl-4-oxo-4H-chromen-2-yl)carbonyl]amino}-4,5-dimethylthiophene-3-carboxylate
The XLogP value of 4.86216 indicates that ethyl 2-{[(6-chloro-7-methyl-4-oxo-4H-chromen-2-yl)carbonyl]amino}-4,5-dimethylthiophene-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.61 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 2-{[(6-chloro-7-methyl-4-oxo-4H-chromen-2-yl)carbonyl]amino}-4,5-dimethylthiophene-3-carboxylate. Following Lipinski's Rule of Five, ethyl 2-{[(6-chloro-7-methyl-4-oxo-4H-chromen-2-yl)carbonyl]amino}-4,5-dimethylthiophene-3-carboxylate has 1 hydrogen bond donor(s) and 6 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 ethyl 2-{[(6-chloro-7-methyl-4-oxo-4H-chromen-2-yl)carbonyl]amino}-4,5-dimethylthiophene-3-carboxylate?
The CAS number of ethyl 2-{[(6-chloro-7-methyl-4-oxo-4H-chromen-2-yl)carbonyl]amino}-4,5-dimethylthiophene-3-carboxylate is 873080-94-5.
What is the molecular formula of ethyl 2-{[(6-chloro-7-methyl-4-oxo-4H-chromen-2-yl)carbonyl]amino}-4,5-dimethylthiophene-3-carboxylate?
The molecular formula of ethyl 2-{[(6-chloro-7-methyl-4-oxo-4H-chromen-2-yl)carbonyl]amino}-4,5-dimethylthiophene-3-carboxylate is C20H18ClNO5S.
What is the molecular weight of ethyl 2-{[(6-chloro-7-methyl-4-oxo-4H-chromen-2-yl)carbonyl]amino}-4,5-dimethylthiophene-3-carboxylate?
The molecular weight of ethyl 2-{[(6-chloro-7-methyl-4-oxo-4H-chromen-2-yl)carbonyl]amino}-4,5-dimethylthiophene-3-carboxylate is 419.06 g/mol.
Where can I buy ethyl 2-{[(6-chloro-7-methyl-4-oxo-4H-chromen-2-yl)carbonyl]amino}-4,5-dimethylthiophene-3-carboxylate?
You can request a quote for ethyl 2-{[(6-chloro-7-methyl-4-oxo-4H-chromen-2-yl)carbonyl]amino}-4,5-dimethylthiophene-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 2-{[(6-chloro-7-methyl-4-oxo-4H-chromen-2-yl)carbonyl]amino}-4,5-dimethylthiophene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 2-{[(6-chloro-7-methyl-4-oxo-4H-chromen-2-yl)carbonyl]amino}-4,5-dimethylthiophene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.