![diethyl 5-{[(6-chloro-7-methyl-4-oxo-4H-chromen-2-yl)carbonyl]amino}-3-methylthiophene-2,4-dicarboxylate structure](/static/products/873/873082-06-5.png)
diethyl 5-{[(6-chloro-7-methyl-4-oxo-4H-chromen-2-yl)carbonyl]amino}-3-methylthiophene-2,4-dicarboxylate
TL;DR: diethyl 5-{[(6-chloro-7-methyl-4-oxo-4H-chromen-2-yl)carbonyl]amino}-3-methylthiophene-2,4-dicarboxylate (CAS 873082-06-5) is a chemical compound with molecular formula C22H20ClNO7S and molecular weight 477.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 5-[(6-chloro-7-methyl-4-oxochromene-2-carbonyl)amino]-3-methylthiophene-2,4-dicarboxylate
Also Known As: diethyl 5-{[(6-chloro-7-methyl-4-oxo-4H-chromen-2-yl)carbonyl]amino}-3-methylthiophene-2,4-dicarboxylate, diethyl 5-(6-chloro-7-methyl-4-oxo-4H-chromene-2-carboxamido)-3-methylthiophene-2,4-dicarboxylate, diethyl 5-[(6-chloro-7-methyl-4-oxochromene-2-carbonyl)amino]-3-methylthiophene-2,4-dicarboxylate
| Molecular Formula | C22H20ClNO7S |
|---|---|
| Molecular Weight | 477.06 g/mol |
| LogP | 4.73044 |
| Topological Polar Surface Area | 111.91 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 477.0649 |
| Heavy Atoms | 32 |
| Complexity | 1291.6519 |
Chemical Identifiers
| CAS Number | 873082-06-5 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=O)C2=CC(=O)C3=C(O2)C=C(C(=C3)Cl)C |
Product Overview
diethyl 5-{[(6-chloro-7-methyl-4-oxo-4H-chromen-2-yl)carbonyl]amino}-3-methylthiophene-2,4-dicarboxylate (CAS 873082-06-5), with molecular formula C22H20ClNO7S and molecular weight 477.06 g/mol. IUPAC: diethyl 5-[(6-chloro-7-methyl-4-oxochromene-2-carbonyl)amino]-3-methylthiophene-2,4-dicarboxylate.
Chemical Property Profile of diethyl 5-{[(6-chloro-7-methyl-4-oxo-4H-chromen-2-yl)carbonyl]amino}-3-methylthiophene-2,4-dicarboxylate
Property Insights of diethyl 5-{[(6-chloro-7-methyl-4-oxo-4H-chromen-2-yl)carbonyl]amino}-3-methylthiophene-2,4-dicarboxylate
The XLogP value of 4.73044 indicates that diethyl 5-{[(6-chloro-7-methyl-4-oxo-4H-chromen-2-yl)carbonyl]amino}-3-methylthiophene-2,4-dicarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 111.91 Ų falls within the moderate polarity range, balancing permeability and solubility for diethyl 5-{[(6-chloro-7-methyl-4-oxo-4H-chromen-2-yl)carbonyl]amino}-3-methylthiophene-2,4-dicarboxylate. Following Lipinski's Rule of Five, diethyl 5-{[(6-chloro-7-methyl-4-oxo-4H-chromen-2-yl)carbonyl]amino}-3-methylthiophene-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 diethyl 5-{[(6-chloro-7-methyl-4-oxo-4H-chromen-2-yl)carbonyl]amino}-3-methylthiophene-2,4-dicarboxylate?
The CAS number of diethyl 5-{[(6-chloro-7-methyl-4-oxo-4H-chromen-2-yl)carbonyl]amino}-3-methylthiophene-2,4-dicarboxylate is 873082-06-5.
What is the molecular formula of diethyl 5-{[(6-chloro-7-methyl-4-oxo-4H-chromen-2-yl)carbonyl]amino}-3-methylthiophene-2,4-dicarboxylate?
The molecular formula of diethyl 5-{[(6-chloro-7-methyl-4-oxo-4H-chromen-2-yl)carbonyl]amino}-3-methylthiophene-2,4-dicarboxylate is C22H20ClNO7S.
What is the molecular weight of diethyl 5-{[(6-chloro-7-methyl-4-oxo-4H-chromen-2-yl)carbonyl]amino}-3-methylthiophene-2,4-dicarboxylate?
The molecular weight of diethyl 5-{[(6-chloro-7-methyl-4-oxo-4H-chromen-2-yl)carbonyl]amino}-3-methylthiophene-2,4-dicarboxylate is 477.06 g/mol.
Where can I buy diethyl 5-{[(6-chloro-7-methyl-4-oxo-4H-chromen-2-yl)carbonyl]amino}-3-methylthiophene-2,4-dicarboxylate?
You can request a quote for diethyl 5-{[(6-chloro-7-methyl-4-oxo-4H-chromen-2-yl)carbonyl]amino}-3-methylthiophene-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 diethyl 5-{[(6-chloro-7-methyl-4-oxo-4H-chromen-2-yl)carbonyl]amino}-3-methylthiophene-2,4-dicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for diethyl 5-{[(6-chloro-7-methyl-4-oxo-4H-chromen-2-yl)carbonyl]amino}-3-methylthiophene-2,4-dicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.